6'-Exomethylene Simvastatin Acid Sodium Salt

CAS: 121624-18-8

Ref. TR-E959105

Produktinformation

• Name: 6'-Exomethylene Simvastatin Acid Sodium Salt
• Synonyme: [(3R,5R)-7-[(1S,2S,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2-methyl-6-methylidene-2,7,8,8a-tetrahydro-1H-naphthalen-1-yl]-3,5-dihydroxyheptanoyl]oxysodium, 6Exomethylene Simvastatin Discontinued, 2,2-Dimethylbutanoic Acid (1S,7S,8S,8aR)-1,2,3,7,8,8a-Hexahydro-7-methyl-3-methylene-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl Ester
• CAS: 121624-18-8

Beschreibung

Applications 6'-Exomethylene Simvastatin Acid Sodium Salt, is the acid form of 6’-Exomethylene Simvastatin, a metabolite of Simvastatin (S485000).
References Vickers, S., et al.: Drug Metab. Dispos., 18, 138 (1990), Cheng, H., et al.: Drug Metab. Dispos., 22, 139 (1994), Zacharowski, K., et al.: Eur. J. Pharmacol., 418, 105 (2001)

• Marke: TRC

Chemische Eigenschaften

• Molekulargewicht: 456.548
• Formel: C₂₅H₃₇NaO₆
• Farbe/Form: Neat
• InChl: InChI=1S/C25H38O6.Na/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;/h7-8,11,16,18-21,23,26-27H,2,6,9-10,12-14H2,1,3-5H3,(H,28,29);/q;+1/p-1/t16-,18+,19+,20-,21-,23-;/m0./s1
• InChI Key: InChIKey=WWMPCNNKBVKGMO-GVVNIZFTSA-M
• SMILES: C=C1C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O[Na])[C@H]2[C@@H](OC(=O)C(C)(C)CC)C1