Irbesartan hydrochloride

HCID 11568906CAS 329055-23-4
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.Cl
InChIKey
ZUYFSRQJPNUOQU-UHFFFAOYSA-N
Molecular formula
C25H29ClN6O
Average molar mass
465 g/mol
Monoisotopic mass
464.20913723

Names & identifiers

Preferred name
Irbesartan hydrochloride
IUPAC
2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one;hydrochloride

Names & synonyms

Irbesartan hydrochlorideIrbesartan HCl329055-23-4UNII-3OGC31WUMZ3OGC31WUMZ1,3-Diazaspiro(4.4)non-1-en-4-one, 2-butyl-3-((2'-(2H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-, hydrochloride (1:1)DTXSID30186568IRBESARTAN HYDROCHLORIDE [WHO-DD]IRBESARTAN HYDROCHLORIDE [EMA EPAR]RefChem:148688DTXCID70109059Irbesartan (hydrochloride)
Show more names
2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one;hydrochloride329055-23-4 (HCl)SCHEMBL981096orb1706938CHEMBL6068339HY-B0202AZUYFSRQJPNUOQU-UHFFFAOYSA-NT1615L

Database identifiers

CAS
329055-23-4
PubChem CID
11568906
DTXSID
DTXSID30186568
ChEMBL
CHEMBL6068339
UNII
3OGC31WUMZ
EC Number
692-730-7

Properties

Computed structural properties

Topological polar surface area
87.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
33

Experimental & physicochemical properties

Human DrugsEMA approved medicines: Human medicine

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P203, P260, P263, P264, P264+P265, P270, P280, P302+P352, P305+P351+P338, P318, P321, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Related reactions

2 records
New reaction record

Linked notes

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