Irbesartan

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 307
Total Number of Articles : 480
PubChem 3749
Molecular Formula

C25H28N6O

SMILES

CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5

InChI

InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30)

synonyms
  • irbesartan
  • 138402-11-6
  • Avapro
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Properties
Property Value
MW 428.5 g/mol
HBD 1
HBA 5
Rotatable Bond Count 7
Exact Mass 428.23245954 g/mol
Monoisotopic Mass 428.23245954 g/mol
Heavy Atom Count 32
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 682
xlogp 4.1
Topological Polar Surface Area 87.1