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A chemical compound is a molecular substance consisting of multiple atoms which are bonded together by a chemical reaction. This type can be used for compounds made of the same element (e.g. allotropes) or multiple different elements. Compounds are different from chemical mixtures because mixtures...
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| x name | x image | x Formula | x Structure (SMILES) | x Structure (InChI) | x article |
| x Propyl alcohol |
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C3H8O | CCCO |
1-Propanol is a primary alcohol with the formula CH3CH2CH2OH. This colorless liquid is also known as propan-1-ol, 1-propyl alcohol, n-propyl alcohol, n-propanol, or simply propanol. It is an isomer of isopropanol (2-propanol). It is used as a...
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| x Benzilic acid |
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OC(C(O)=O)(c1ccccc1)c2ccccc2 |
Benzilic acid is a white crystalline aromatic acid soluble in many primary alcohols. It can be prepared by heating mixture of benzil, alcohol and potassium hydroxide. The other preparation way is through benzaldehyde, which dimerizates to benzil and...
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| O=C(O)C(O)(c1ccccc1)c2ccccc2 | |||||
| x Dimethylbenzylamine |
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CN(C)Cc1ccccc1 | 1/C9H13N/c1-10(2)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3 |
Dimethylbenzylamine is the organic compound with the formula C6H5CH2N(CH3)2. The molecule contains the benzyl group, C6H5CH2, attached to a dimethylamino functional group. It is used as a catalyst for the formation of polyurethane foams and epoxy...
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| N(C)(Cc1ccccc1)C | |||||
| x N-Phenethyl-4-piperidinone |
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C13H17NO | C1CN(CCC1=O)CCC2=CC=CC=C2 |
N-Phenethyl-4-piperidinone (NPP) is a derivative of 4-piperidinone with the molecular formula C13H17NO. 4-Piperidone is used as an intermediate in the manufacture of chemicals and pharmaceutical drugs such as fentanyl.
Because of its use in the...
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| O=C2CCN(CCc1ccccc1)CC2 | |||||
| x 4-Piperidinone |
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C5H9NO | O=C1CCNCC1 |
4-Piperidinone is a derivative of piperidine with the molecular formula C5H9NO. 4-Piperidone is used as an intermediate in the manufacture of chemicals and pharmaceutical drugs (e.g., fentanyl).
Piperidones are a class of chemical compounds sharing...
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| x 8-Hydroxyquinoline |
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C9H7NO | OC1=C(N=CC=C2)C2=CC=C1 |
8-Hydroxyquinoline is an organic compound with the formula C9H7NO. It is a derivative of the heterocycle quinoline by placement of an OH group on carbon number 8. This colorless compound is widely used commercially, although under a variety of names...
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| Oc1cccc2cccnc12 | |||||
| x 1,2-bis(dimethylarsino)benzene |
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C10As2H16 | C[As](C)c1ccccc1[As](C)C |
1,2-Bis(dimethylarsino)benzene is the organoarsenic compound with the formula C6H4(As(CH3)2)2. The molecule consists of two dimethylarsino groups attached to adjacent carbon centers of a benzene ring. It is a chelating ligand in coordination...
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| x Bipyridine |
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Bipyridines are a family of chemical compounds with the formula (C5H4N)2, which are formed by the coupling of two pyridine rings. Six isomers of bipyridine exist, but two isomers are prominent: 2,2'-bipyridine is a popular ligand in coordination...
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| x Gluconic acid |
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C(C(C(C(C(C(=O)[O-])O)O)O)O)O.[Mg+2] |
Gluconic acid is an organic compound with molecular formula C6H12O7 and condensed structural formula HOCH2(CHOH)4COOH. It is one of the 16 stereoisomers of 2,3,4,5,6-pentahydroxyhexanoic acid.
In aqueous solution at neutral pH, gluconic acid forms...
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| O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO | |||||
| x Terpyridine |
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c1ccnc(c1)c2cccc(n2)c3ccccn3 |
Terpyridine (2,2';6',2"-terpyridine) is a heterocyclic compound derived from pyridine. This colourless solid is used as a ligand in coordination chemistry.
Terpyridine was first synthesized by G. Morgan and F. H. Burstall in 1932 by the oxidative...
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| x Dibenzofuran |
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C12H8O | o2c1ccccc1c3c2cccc3 |
Dibenzofuran, is a heterocyclic organic compound with the chemical structure shown at right. It is an aromatic compound that has two benzene rings fused to one furan ring in the middle. All of the numbered carbon atoms have a hydrogen atom bonded to...
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| x MCPA |
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C9H9ClO3 | Cl-C1=CC=C(OCC(=O)O)C(C)=C1 |
MCPA or 2-methyl-4-chlorophenoxyacetic acid is a powerful, selective, widely-used phenoxy herbicide. The pure compound is a brown-colored powder.
In 1936 investigations began at ICIs Jealott's Hill research centre into the effects of synthetic...
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| x Methazole |
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C9H6Cl2N2O3 | CN1C(=O)N(OC1=O)C2=CC(=C(C=C2)Cl)Cl |
Methazole (C9H6Cl2N2O3) is a herbicide in the family of herbicides known as oxadiazolones.
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| x Morpholine |
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C4H9NO | O(CCNC1)C1 |
Morpholine is an organic chemical compound having the chemical formula O(CH2CH2)2NH. This heterocycle, pictured at right, features both amine and ether functional groups. Because of the amine, morpholine is a base; its conjugate acid is called...
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| x Pyridine |
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c1ccncc1 |
Pyridine is a basic heterocyclic organic compound with the chemical formula C5H5N. It is structurally related to benzene, with one C-H group replaced by a nitrogen atom. The pyridine ring occurs in many important compounds, including azines and the...
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| x Aziridine |
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C1CN1 |
Aziridines are organic compounds containing the aziridine functional group, a three-membered heterocycle with one amine group and two methylene groups. The parent compound is aziridine (or ethylene imine), with molecular formula C2H5N.
The bond...
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| x Water |
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H2O | O | InChI=1/H2O/h1H2 |
Water (H2O) is the most abundant compound on Earth's surface, covering about 70%. In nature, it exists in liquid, solid, and gaseous states. It is in dynamic equilibrium between the liquid and gas states at standard temperature and pressure. At room...
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| 1S/H2O/h1H2 | |||||
| x Tetrahydrocannabinol |
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C21H30O2 | C1=C(CC[C@@H]3[C@@H]1C2=C(C=C(C=C2OC3(C)C)CCCCC)O[H])C |
Tetrahydrocannabinol ( /ˌtɛtrəˌhaɪdrɵkəˈnæbɨnɒl/ tet-rə-hy-drə-kə-nab-i-nol; THC), also known as delta-9-tetrahydrocannabinol (Δ-THC), or dronabinol, is the principal psychoactive constituent of the cannabis plant. First isolated in 1964, in its...
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| x Hydrogen sulfide |
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H2S | S | InChI=1S/H2S/h1H2 |
Hydrogen sulfide (British English: hydrogen sulphide) is the chemical compound with the formula H2S. It is a colorless, very poisonous, flammable gas with the characteristic foul odor of expired rotten eggs. It often results from the bacterial...
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| x Cyanide |
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CN− |
A cyanide is a chemical compound that contains the cyano group, -C≡N, which consists of a carbon atom triple-bonded to a nitrogen atom. Cyanides most commonly refer to salts of the anion CN. Most cyanides are highly toxic.
In organic chemistry...
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| x Hydrogen cyanide |
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HCN | [H+].[C-]#N |
Hydrogen cyanide (with the historical common name of Prussic acid) is a chemical compound with chemical formula HCN. It is a colorless, extremely poisonous liquid that boils slightly above room temperature at 26 °C (79 °F). Hydrogen cyanide is a...
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| x Butane |
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C4H10 | CCCC |
Butane is a gas with the formula C4H10 that is an alkane with four carbon atoms. The term may refer to either of two structural isomers, n-butane or isobutane (or "methylpropane"), or to a mixture of these isomers. In the IUPAC nomenclature, however...
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| x Propane |
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C3H8 | CCC |
Propane is a three-carbon alkane with the molecular formula C3H8, normally a gas, but compressible to a transportable liquid. A by-product of natural gas processing and petroleum refining, it is commonly used as a fuel for engines, oxy-gas torches,...
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| x Bromobimane |
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O=C1C(=C(/N2/C(=C(C(=O)N12)C)CBr)C)C |
Bromobimane (or monobromobimane) is a heterocyclic compound and bimane dye that is used as a reagent in biochemistry. It alkylates thiol groups, replacing the H with a fluorescent tag (λemission = 478 nm). Its alkylating properties are comparable to...
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| x Xanthine |
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C5H4N4O2 | O=C1NC(=O)c2[nH]cnc2N1 |
Xanthine ( /ˈzænθiːn/ or /ˈzænθaɪn/; archaically xanthic acid) (3,7-dihydro-purine-2,6-dione), is a purine base found in most human body tissues and fluids and in other organisms. A number of stimulants are derived from xanthine, including caffeine...
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| c1[nH]c2c(n1)nc(nc2O)O | |||||
| x Chlorodifluoromethane |
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CHClF2 | C(F)(F)Cl | 1/CHClF2/c2-1(3)4/h1H |
Chlorodifluoromethane or difluoromonochloromethane is a hydrochlorofluorocarbon (HCFC). This colorless gas is better known as HCFC-22, or R-22. It was once commonly used as a propellant and in air conditioning applications. These applications are...
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| ClC(F)F | |||||
| x Prostratin | C22H30O6 | CC1CC2(C(C2(C)C)C3C1(C4C=C(C(=O)C4(CC(=C3)CO)O)C)O)OC(=O)C |
Prostratin is a protein kinase C activator found in the bark of the mamala tree of Samoa, Homalanthus nutans (Euphorbiaceae). While prostratin was originally isolated and identified as a new phorbol from species of the genus Pimelea (Thymelaceae) in...
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| O=C1C(=C/[C@H]2[C@]3(O)[C@@H](/C=C(/CO)C[C@]12O)[C@H]4[C@@](OC(=O)C)(C[C@H]3C)C4(C)C)C | |||||
| x Iodoform |
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CHI3 | C(I)(I)I | 1/CHI3/c2-1(3)4/h1H |
Iodoform is the organoiodine compound with the formula CHI3. A pale yellow, crystalline, volatile substance, it has a penetrating odor (in older chemistry texts, the smell is sometimes referred to as the smell of hospitals) and, analogous to...
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| IC(I)I | |||||
| x Metanephrine | C10H15NO3 | Oc1ccc(cc1OC)C(O)CNC |
Metanephrine is a metabolite of epinephrine created by action of catechol-O-methyl transferase on epinephrine. An article in the Journal of the American Medical Association, 2002, indicated that the measurement of plasma free metanephrines is the...
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| x Beta-carotene |
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C40H56 | CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)C |
β-Carotene is a strongly-coloured red-orange pigment abundant in plants and fruits. It is an organic compound and chemically is classified as a hydrocarbon and specifically as a terpenoid (isoprenoid), reflecting its derivation from isoprene units....
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| CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C | |||||
| x Pepstatin |
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C34H63N5O9 | CC(C)CC(C(CC(=O)O)O)NC(=O)C(C)NC(=O)CC(C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)CC(C)C)O |
Pepstatin is a potent inhibitor of aspartyl proteases. It is a hexa-peptide containing the unusual amino acid statine (Sta, (3S,4S)-4-amino-3-hydroxy-6-methylheptanoic acid), having the sequence Isovaleryl-Val-Val-Sta-Ala-Sta (Iva-Val-Val-Sta-Ala...
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| O=C(N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@H](C(=O)N[C@H]([C@@H](O)CC(=O)O)CC(C)C)C)C(C)C)C(C)C)CC(C)C | |||||
| x Psicose |
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C(C(C(C(C(=O)CO)O)O)O)O |
D-Psicose (D-allulose, D-ribo-2-hexulose, C6H12O6) is an ultralow-energy monosaccharide sugar. It is a C-3 epimer of D-fructose, and is present in small quantities in agricultural products and commercially-prepared carbohydrate complexes. It is...
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| O=C([C@H](O)[C@H](O)[C@H](O)CO)CO | |||||
| x Sulfanilic acid |
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C6H7NO3S | C1=CC(=CC=C1N)S(=O)(=O)O | InChI=1/C6H7NO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H,8,9,10)/f/h8H |
Sulfanilic acid (4-aminobenzene sulfonic acid ) is a grey crystalline solid produced from sulfonation of aniline.
It readily forms diazo compounds and is used to make dyes and sulpha drugs.
Sulphanilic acid exists as a zwitterion, and has an...
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| x Succinyl-CoA |
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C25H40N7O19P3S | O=C(O)CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n2cnc1c(ncnc12)N)[C@H](O)[C@@H]3OP(=O)(O)O |
Succinyl-Coenzyme A, abbreviated as Succinyl-CoA or SucCoA, is a combination of succinic acid and coenzyme A.
It is an important intermediate in the citric acid cycle, where it is synthesized from α-Ketoglutarate by α-ketoglutarate dehydrogenase...
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| x Nordihydrocapsaicin |
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C17H27NO3 | CC(C)CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC |
Nordihydrocapsaicin is a capsaicinoid and analog and congener of capsaicin in chili peppers (Capsicum).
Like capsaicin, it is an irritant. Nordihydrocapsaicin accounts for about 7% of the total capsaicinoids mixture and has about half the pungency...
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| x Phytanic acid |
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CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)CC(=O)O |
Phytanic acid (or 3,7,11,15-tetramethyl hexadecanoic acid) is a branched chain fatty acid that humans can obtain through the consumption of dairy products, ruminant animal fats, and certain fish. Western diets are estimated to provide 50-100 mg of...
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| x Ribulose |
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D: C([C@H]([C@H](C(=O)CO)O)O)OL: OCC([C@@H](O)[C@@H](O)CO)=O |
Ribulose is a ketopentose — a monosaccharide containing five carbon atoms, and including a ketone functional group. It has chemical formula C5H10O5. Two enantiomers are possible, D-ribulose (D-erythro-pentulose) and L-ribulose (L-erythro-pentulose)....
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| x CGS21680 |
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C23H29N7O6 | CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=C(N=C3N)NCCC4=CC=C(C=C4)CCC(=O)O)O)O |
CGS-21680 is a specific adenosine A2A subtype receptor agonist. It is usually presented as an organic hydrochloride salt with a molecular weight of 536.0 g/M. It is soluble up to 3.4 mg/mL in DMSO and 20 mg/mL in 45% (w/v) aq 2-hydroxypropyl-β...
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| x 3,3'-Diindolylmethane |
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C17H14N2 | C1=CC=C2C(=C1)C(=CN2)CC3=CNC4=CC=CC=C43 | 1/C17H14N2/c1-3-7-16-14(5-1)12(10-18-16)9-13-11-19-17-8-4-2-6-15(13)17/h1-8,10-11,18-19H,9H2 |
3,3′-Diindolylmethane or DIM is a compound derived from the digestion of indole-3-carbinol, found in cruciferous vegetables such as broccoli, Brussels sprouts, cabbage and kale. The reputation of Brassica vegetables as healthy foods rests in part on...
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| x Gyromitrin |
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C4H8N2O | C/C=N/N(C)C=O | 1/C4H8N2O/c1-3-5-6(2)4-7/h3-4H,1-2H3/b5-3+ |
Gyromitrin is a toxin and carcinogen present in several members of the fungal genus Gyromitra, most notably the false morel G. esculenta. It is unstable and is easily hydrolyzed to the toxic compound monomethylhydrazine, a component of some rocket...
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| CC=NN(C)C=O | |||||
| x Thymidine monophosphate |
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C10H13N2O8P2- | Cc1cn(C2CC(O)C(COP([O-])([O-])=O)O2)c(:o)[nH]c1:o |
Thymidine monophosphate, also known as 5'-thymidylate, thymidylate, or TMP, is a nucleotide that is used as a monomer in DNA. It is an ester of phosphoric acid with the nucleoside thymidine. TMP consists of a phosphate group, the pentose sugar...
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| x Malonyl-CoA | C24H38N7O19P3S |
Malonyl-CoA is a coenzyme A derivative of malonic acid.
It plays a key role in chain elongation in fatty acid biosynthesis and polyketide biosynthesis.
Malonyl-CoA is also used in transporting alpha-ketoglutarate across the mitochondrial membrane...
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| x Aconitate |
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O=C(O)CC(=CC(=O)O)C(=O)O |
Aconitic acid is an organic acid. The two isomers are cis-aconitic acid and trans-aconitic acid. The conjugate base of cis-aconitic acid, cis-aconitate is an intermediate in the isomerization of citrate to isocitrate in the citric acid cycle. It is...
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| x Phenylacetylcarbinol | C9H10O2 | CC(=O)[C@@H](C1=CC=CC=C1)O |
Phenylacetylcarbinol (PAC) is an organic compound that has two enantiomers, one with R- and one with S-configuration. (R)-PAC, which is commonly called L-PAC, is known as a precursor in the synthesis of pharmaceuticals such as ephedrine and...
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| x Neuromedin N | C38H63N7O8 |
Neuromedin N is a neuropeptide derived from the same precursor polypeptide as neurotensin, and with similar but subtly distinct expression and effects.
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| x 5,12-Bisnaphthacene |
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C34H20 | c12ccccc1cc3c(c(C#Cc6ccccc6)c(cccc5)c5c3C#Cc4ccccc4)c2 | 1/C34H20/c1-3-11-25(12-4-1)19-21-31-29-17-9-10-18-30(29)32(22-20-26-13-5-2-6-14-26)34-24-28-16-8-7-15-27(28)23-33(31)34/h1-18,23-24H |
5,12-Bis(phenylethynyl)naphthacene is a fluorescent dye used in lightsticks. It yields orange light.
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| C(#Cc1ccccc1)c5c2ccccc2c(C#Cc3ccccc3)c6cc4ccccc4cc56 | |||||
| x Cnicin |
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O=C/1O[C@@H]2/C=C(/CC/C=C(/C[C@H](OC(=O)C(=C)[C@@H](O)CO)[C@H]2C1=C)C)CO |
Cnicin is a sesquiterpene lactone, esterified with a substituted acrylic acid, and belonging to the germacranolide class of natural products. It is mainly found in Cnicus (Cnicus benedictus L. (Asteraceae)), and is present in spotted knapweed plants...
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| x Fructose 2,6-bisphosphate | C6H14O12P2 | O=P(O)(O)OC[C@H]1O[C@@](CO)(COP(O)(O)=O)[C@@H](O)[C@@H]1O |
Fructose 2,6-bisphosphate abbreviated Fru-2,6-P2, is a metabolite that allosterically affects the activity of the enzymes phosphofructokinase 1 (PFK-1) and fructose 1,6-bisphosphatase (FBPase-1) to regulate glycolysis and gluconeogenesis. Fru-2,6-P2...
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| x Scheele's Green |
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AsCuHO3 | O[As]([O-])[O-].[Cu+2] |
Scheele's Green, also called Schloss Green, is chemically a cupric hydrogen arsenite (also called copper arsenite or acidic copper arsenite), CuHAsO3. It is a compound similar to Paris Green. It is a green pigment, of yellowish hue and was used in...
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| [Cu+2].[O-][As]([O-])O | |||||
| x Butyrophenone | C10H12O | CCCC(=O)C1=CC=CC=C1 |
Butyrophenone is a chemical compound (with a ketone functional group); some of its derivatives (called commonly butyrophenones) are used to treat various psychiatric disorders such as schizophrenia, as well as acting as antiemetics.
Butyrophenones...
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| O=C(c1ccccc1)CCC | |||||
| x Adenylosuccinate | C14H18N5O11P | O=C(O)CC(C(=O)O)Nc3ncnc1c3ncn1[C@@H]2O[C@@H]([C@@H](O)[C@H]2O)COP(=O)(O)O |
Adenylosuccinate is an intermediate in the intercoversion of purine nucleotides inosine monophosphate (IMP) and adenosine monophosphate (AMP). The enzyme adenylosuccinate synthase carries out the reaction by the addition of aspartate to IMP and...
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| x Deoxycytidine diphosphate | C9H15N3O10P2 | Nc1ccn(C2CC(O)C(COP(=O)(O)OP(=O)(O)O)O2)c(=O)n1 |
Deoxycytidine diphosphate is a nucleoside diphosphate. It is related to the common nucleic acid CTP, or cytidine triphosphate, with the -OH (hydroxyl) group on the 2' carbon on the nucleotide's pentose removed (hence the deoxy- part of the name),...
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| x 3-Nitrobenzyl alcohol | C7H7NO3 | C1=CC(=CC(=C1)[N+](=O)[O-])CO |
The compound 3-nitrobenzyl alcohol is an organic compound with the formula C7H7NO3.
In mass spectrometry this compound is often abbreviated as "3-NBA" or "m-NBA." It has been used as a liquid matrix for fast atom bombardment and matrix-assisted...
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| x 3'-Phosphoadenosine-5'-phosphosulfate |
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C10H15N5O13P2S | C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)OS(=O)(=O)O)OP(=O)(O)O)O |
3'-Phosphoadenosine-5'-phosphosulfate is a derivative of adenosine monophosphate that is phosphorylated at the 3' position and has a sulfate group attached to the 5' phosphate. This anion, abbreviated PAPS, serves as a coenzyme in sulfotransferase...
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| S=C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)OS(=O)(=O)O)OP(=O)(O)O)O | |||||
| x Gentian violet |
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Gentian violet (crystal violet, methyl violet 10B, hexamethyl pararosaniline chloride) is a bactericide and an antifungal agent, the primary agent used in the Gram stain test, perhaps the single most important bacterial identification test in use...
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| x Palmitoyl CoA | C37H66N7O17P3S |
Palmitoyl CoA is an acyl-CoA thioester used in the biosynthesis of sphingosine:
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| x Aniracetam |
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COC1=CC=C(C=C1)C(=O)N2CCCC2=O |
Aniracetam (Draganon, Sarpul, Ampamet, Memodrin) is an ampakine and nootropic of the racetam chemical class purported to be considerably more potent than piracetam. It is lipid-soluble and has possible cognition-enhancing effects. It has been tested...
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| x Iditol |
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C6H14O6 | C([C@H]([C@@H]([C@H]([C@@H](CO)O)O)O)O)O |
Iditol is a sugar alcohol which accumulates in galactokinase deficiency.
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| x 9,10-Bisanthracene |
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C30H18 | c23c(C#Cc5ccccc5)c1ccccc1c(C#Cc4ccccc4)c2cccc3 |
9,10-Bis(phenylethynyl)anthracene (BPEA) is an aromatic hydrocarbon with the chemical formula is C30H18. It displays strong fluorescence and is used as a chemiluminescent fluorophore with high quantum efficiency.
It is used in lightsticks as a...
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| C(#Cc1ccccc1)c4c2ccccc2c(C#Cc3ccccc3)c5ccccc45 | |||||
| x Hexafluoroacetylacetone |
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C5H2F6O2 | FC(F)(F)C(=O)CC(=O)C(F)(F)F |
Hexafluoroacetylacetone is the chemical compound with the formula CF3C(O)CH2C(O)CF3 (often abbreviated as hfac). This colourless liquid is a ligand precursor and a reagent used in MOCVD. Complexes of the conjugate base, often called Hfac, exhibit...
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