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Simvastatin Hydroxy Acid Ammonium Salt

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For Research Use Only | Not For Clinical Use
CATAPS139893439
CAS139893-43-9
Structure
SynonymsSimvastatin acid ammonium salt, 1-Naphthaleneheptanoic acid, 8-(2,2-dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-beta,delta-dihydroxy-2,6-dimethyl-, monoammonium salt, (betaR,deltaR,1S,2S,6R,8S,8aR)- (9CI), Simvastatin ammonium salt, Tenivastatin Calcium,Simvastatin Imp. A (EP), 1-Naphthaleneheptanoic acid, 8-(2,2-dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-beta,delta-dihydroxy-2,6-dimethyl-, ammonium salt (1:1), (betaR,deltaR,1S,2S,6R,8S,8aR)-, Ammonium simvastatin, 1-Naphthaleneheptanoic acid, 8-(2,2-dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-beta,delta-dihydroxy-2,6-dimethyl-, monoammonium salt, [1S-[1alpha(betaS*,deltaS*),2alpha,6beta,8beta,8aalpha]]-, Simvastatin carboxylic acid ammonium salt
IUPAC Nameazanium;(3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate
Molecular Weight453.61
Molecular FormulaC25H39O6.H4N
Canonical SMILES[NH4+].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]12
InChIInChI=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
Accurate Mass453.309
FormatNeat
SubcategoryChiral molecules
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  • Verification code
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