Simvastatin Hydroxy Acid Ammonium Salt

CAS: 139893-43-9

Ref. TR-S485020

Produktinformation

• Name: Simvastatin Hydroxy Acid Ammonium Salt
• Synonyme: Ammonium simvastatin, Simvastatin acid ammonium salt, Simvastatin ammonium salt, Simvastatin carboxylic acid ammonium salt,1-Naphthaleneheptanoic acid, 8-(2,2-dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-β,δ-dihydroxy-2,6-dimethyl-, ammonium salt (1:1), (βR,δR,1S,2S,6R,8S,8aR)-, 1-Naphthaleneheptanoic acid, 8-(2,2-dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-β,δ-dihydroxy-2,6-dimethyl-, monoammonium salt, (βR,δR,1S,2S,6R,8S,8aR)- (9CI), 1-Naphthaleneheptanoic acid, 8-(2,2-dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-β,δ-dihydroxy-2,6-dimethyl-, monoammonium salt, [1S-[1α(βS*,δS*),2α,6β,8β,8aα]]-, (3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-[(2,2-Dimethylbutanoyl)oxy]-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid ammonium salt
• Marke: TRC

Beschreibung

Applications A metabolite of Simvastin (S485000). A competitive inhibitor of HMG-CoA reductase.
References Hoffman, W.F., et al.: J. Med. Chem., 29, 849 (1986), Mol, M.J., et al.: Lancet, 2, 936 (1986),

Chemische Eigenschaften

• Molekulargewicht: 453.61
• Formel: C₂₅H₄₃NO₆
• Farbe/Form: Neat
• InChl: InChI=1S/C25H40O6.H3N/c1-6-25(4,5)24(30)31-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-18(26)13-19(27)14-22(28)29;/h7-8,11,15-16,18-21,23,26-27H,6,9-10,12-14H2,1-5H3,(H,28,29);1H3/t15-,16-,18+,19+,20-,21-,23-;/m0./s1
• SMILES: CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)[O-])[C@H]21.[NH4+]