simvastatin acid

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 17
Total Number of Articles : 28
PubChem 64718
Molecular Formula

C25H40O6

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](C[C@H](CC(=O)O)O)O)C

InChI

InChI=1S/C25H40O6/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)/t15-,16-,18+,19+,20-,21-,23-/m0/s1

synonyms
  • Simvastatin acid
  • Tenivastatin
  • 121009-77-6
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Properties
Property Value
MW 436.6 g/mol
HBD 3
HBA 6
Rotatable Bond Count 11
Exact Mass 436.28248899 g/mol
Monoisotopic Mass 436.28248899 g/mol
Heavy Atom Count 31
Isotope Atom Count 0
Atom Stereo Count 7
Covalent Unit Count 1
Complexity 694
xlogp 3.9
Topological Polar Surface Area 104