irbesartan

irbesartan

CAS: 138402-11-6

Formula: C25H28N6O

SMILES: CCCCC1=NC2(CCCC2)C(=O)N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1

IUPAC: 2-butyl-3-{[2'-(2H-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]methyl}-1,3-diazaspiro[4.4]non-1-en-4-one

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)

Composition: C (70.07%), H (6.59%), N (19.61%), O (3.73%)

Molar Mass: 428.54

Atom Count: 60

Heavy Atom Count: 32

Properties

Properties

Common Names	aprovel; avalide; bms brand of irbesartan; bristol myers brand of irbesartan; irbesarran; irbesartan; irbesartan (product); irbesartan (substance); irbesartan preparation; karvea; lrbesartan; sanofi winthrop brand of irbesartan; ????
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	428.232459546
Formal Charge	0
FSP3	0.4
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	YOSHYTLCDANDAN-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	136.72
Topological Polar Surface Area	87.13
Polarizability	49.2
Ring Count	5
Rotatable Bond Count	7

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