138219-39-3 Purity
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Specification
The molecular formula of irbesartan is C25H28N6O.
The molecular weight of irbesartan is 428.5 g/mol.
The IUPAC name of irbesartan is 2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one.
The InChIKey for irbesartan is YOSHYTLCDANDAN-UHFFFAOYSA-N.
The canonical SMILES representation of irbesartan is CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5.
The CAS number of irbesartan is 138402-11-6.
Irbesartan has 1 hydrogen bond donor count.
Irbesartan has 5 hydrogen bond acceptor counts.
Irbesartan has 7 rotatable bond counts.
The XLogP3-AA value for irbesartan is 4.1.