Irbesartan

enlarge

Systematic / IUPAC Name: 2-Butyl-3-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-1,3-diazaspiro[4.4]non-1-en-4-one

ID: Reference1058

Other Names: Aprovel;
Avapro;
Karvea;
2-Butyl-3-({4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)-1,3-diazaspiro[4.4]non-1-en-4-one;
2-Butyl-3-({4-[2-(2H-tetrazol-5-yl)phenyl]phenyl}methyl)-1,3-diazaspiro[4.4]non-1-en-4-one ; more

Formula: C25H28N6O

Class: Therapeutics/Prescription Drugs

Spectral Data

Irbesartan mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments LTQ Orbitrap XL; Q Exactive Plus Orbitrap
No. of Spectral Trees 2
No. of Spectra 107
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/14/2016 12:11:31 PM
View Mass Spec Data > >

Identificators

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)
InChI Key YOSHYTLCDANDAN-UHFFFAOYSA-N
Canonical SMILES CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NN=NN5
CAS 138402116
Splash
Other Names Aprovel;
Avapro;
Karvea;
2-Butyl-3-({4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)-1,3-diazaspiro[4.4]non-1-en-4-one;
2-Butyl-3-({4-[2-(2H-tetrazol-5-yl)phenyl]phenyl}methyl)-1,3-diazaspiro[4.4]non-1-en-4-one ;
8-Butyl-7-({4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)-7,9-diazaspiro[4.4]non-8-en-6-one ;
8-Butyl-7-({4-[2-(2H-tetrazol-5-yl)phenyl]phenyl}methyl)-7,9-diazaspiro[4.4]non-8-en-6-one

In Other Databases

ChEBI CHEBI:5959
ChemIDPlus 138402116
HMDb HMDB15163
ChEMBL CHEMBL1513
PubChem 3749
DrugBank APRD00413
Wikipedia Irbesartan
KEGG C07469; D00523
ChemSpider 3618