Molecular Identity
Irbesartan
2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one
PubChem CID: 3749
Irbesartan is a biphenylyltetrazole that is an angiotensin II receptor antagonist used mainly for the treatment of hypertension. It has a role as an antihypertensive agent, a xenobiotic, an angiotensin receptor antagonist and an environmental contaminant. It is an azaspiro compound and a biphenylyltetrazole.
2D Structure
Properties
C25H28N6O
Molecular Formula
428.50
Molecular Weight
g/mol
428.2325
Exact Mass
Da
4.1
XLogP
Drug-like (Lipinski: < 5)
87.1
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
682
Complexity
SMILES
Canonical SMILES
SMILES: CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5Isomeric SMILES
SMILES: CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5Synonyms(20)
irbesartan138402-11-6AvaproAprovelKarveaSR-47436BMS-186295Irbesartan BMSSR 47436Irbesartan ZentivaSarbevelIrbesartan tevaIrbesartan KrkaDTXSID0023169Irbesartan Winthrop
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Irbesartan
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