Gemfibrozil 1-O-|A-Glucuronide

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 3
Total Number of Articles : 2
PubChem 88127
Molecular Formula

C21H30O9

SMILES

CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O

InChI

InChI=1S/C21H30O9/c1-11-6-7-12(2)13(10-11)28-9-5-8-21(3,4)20(27)30-19-16(24)14(22)15(23)17(29-19)18(25)26/h6-7,10,14-17,19,22-24H,5,8-9H2,1-4H3,(H,25,26)/t14-,15-,16+,17-,19-/m0/s1

synonyms
  • 91683-38-4
  • Gemfibrozil 1-O-beta-Glucuronide
  • 1-O-Gemfibrozil-beta-D-glucuronide
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Properties
Property Value
MW 426.5 g/mol
HBD 4
HBA 9
Rotatable Bond Count 9
Exact Mass 426.18898253 g/mol
Monoisotopic Mass 426.18898253 g/mol
Heavy Atom Count 30
Isotope Atom Count 0
Atom Stereo Count 5
Covalent Unit Count 1
Complexity 593
xlogp 2.2
Topological Polar Surface Area 143