irbesartan

2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one

CAS: 138402-11-6

Molecular Formula	`C25H28N6O`
Molecular Weight	428.5 g/mol
LogP	4.1
Topological Polar Surface Area	87.1 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	7
Exact Mass	428.23245
Heavy Atoms	32
Complexity	682.0

Chemical Identifiers

CAS Number	138402-11-6
SMILES	`CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5`
InChIKey	`YOSHYTLCDANDAN-UHFFFAOYSA-N`

📖 Product Overview

irbesartan (CAS: 138402-11-6) is a chemical compound with molecular formula C25H28N6O and molecular weight 428.5 g/mol. Its IUPAC systematic name is 2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one. LogP 4.1 Topological Polar Surface Area 87.1 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 7 Exact Mass 428.23245 Heavy Atoms 32 Complexity 682.0 InChI Key: YOSHYTLCDANDAN-UHFFFAOYSA-N. SMILES: CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5.

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