Simvastatin ammonium salt

CAS Registry Number®

139893-43-9

CAS Name

Simvastatin ammonium salt

Molecular Formula

C25H40O6.H3N

Molecular Mass

453.61

Cite this Page

Simvastatin ammonium salt.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=139893-43-9 (retrieved 2025-04-02) (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

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Deleted or Replaced CAS Registry Numbers

1032828-25-3

CAS INSIGHTSTM
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