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Simvastatin

Simvastatin

API0231531

Simvastatin

Simethicone is an anti-foaming agent used for gastrointestinal gas.

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API Description
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Document
Related Patent Status
  • CAS No.

    79902-63-9

  • Synonyms

    simvastatin; 79902-63-9; Sinvacor

  • CHEMBL ID

    CHEMBL1064

  • Molecule Type

    Small molecule

  • Compound CID

    54454

  • Molecular Weight (g/mol)

    418.6

  • Molecular Formula

    C25H38O5

  • InChI

    InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1

  • InChIKey

    RYMZZMVNJRMUDD-HGQWONQESA-N

  • SMILES

    CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C

  • IUPAC Name

    [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate

  • Exact Mass (Da)

    418.27192431

  • Monoisotopic Mass (Da)

    418.27192431

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