Simvastatin ammonium salt
CAS Registry Number®
139893-43-9
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CAS Name
Simvastatin ammonium saltMolecular Formula
C25H40O6.H3NCite this Page
Simvastatin ammonium salt. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=139893-43-9 (retrieved ) (CAS RN: 139893-43-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
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
InChIKey
InChIKey=FFPDWNBTEIXJJF-OKDJMAGBSA-N
SMILES
O(C(C(CC)(C)C)=O)[C@@H]1[C@]2(C(C=C[C@H](C)[C@@H]2CC[C@H](C[C@H](CC(O)=O)O)O)=C[C@H](C)C1)[H].N
Canonical SMILES
O=C(O)CC(O)CC(O)CCC1C(C=CC2=CC(C)CC(OC(=O)C(C)(C)CC)C21)C.N
Other Names for this Substance
- 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, [1S-[1α(βS*,δS*),2α,6β,8β,8aα]]-
- 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)-
- Simvastatin acid ammonium salt
- Simvastatin ammonium salt
Deleted or Replaced CAS Registry Numbers
1032828-25-3
