Simvastatin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 1653
Total Number of Articles : 2954
PubChem 54454
Molecular Formula

C25H38O5

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

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

synonyms
  • simvastatin
  • 79902-63-9
  • Sinvacor
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Properties
Property Value
MW 418.6 g/mol
HBD 1
HBA 5
Rotatable Bond Count 7
Exact Mass 418.27192431 g/mol
Monoisotopic Mass 418.27192431 g/mol
Heavy Atom Count 30
Isotope Atom Count 0
Atom Stereo Count 7
Covalent Unit Count 1
Complexity 706
xlogp 4.7
Topological Polar Surface Area 72.8