Candesartan

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Systematic / IUPAC Name: 2-Ethoxy-1-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-1H-benzimidazole-7-carboxylic acid

ID: Reference1004

Other Names: Blopress;
2-Ethoxy-1-({4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)-1H-1,3-benzodiazole-7-carboxylic acid;
2-Ethoxy-1-[p-(o-1H-tetrazol-5-ylphenyl)benzyl]-7-benzimidazolecarboxylic acid ;
2-Ethoxy-3-({4-[2-(1H-tetrazol-5-yl)phenyl]phenyl}methyl)-3H-benzoimidazole-4-carboxylic acid ;
2-Ethoxy-3-({4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)benzimidazole-4-carboxylic acid

Formula: C24H20N6O3

Class: Therapeutics/Prescription Drugs

Spectral Data

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

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Available MS Data

Used Instruments LTQ Orbitrap XL
No. of Spectral Trees 2
No. of Spectra 136
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/14/2016 10:28:01 AM
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Identificators

InChI InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29)
InChI Key HTQMVQVXFRQIKW-UHFFFAOYSA-N
Canonical SMILES CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NN=NN5)C(=O)O
CAS 139481597
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Other Names Blopress;
2-Ethoxy-1-({4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)-1H-1,3-benzodiazole-7-carboxylic acid;
2-Ethoxy-1-[p-(o-1H-tetrazol-5-ylphenyl)benzyl]-7-benzimidazolecarboxylic acid ;
2-Ethoxy-3-({4-[2-(1H-tetrazol-5-yl)phenyl]phenyl}methyl)-3H-benzoimidazole-4-carboxylic acid ;
2-Ethoxy-3-({4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)benzimidazole-4-carboxylic acid ;
2-Ethoxy-3-({4-[2-(2H-tetrazol-5-yl)phenyl]phenyl}methyl)-4-benzimidazolecarboxylic acid

In Other Databases

PubChem 2541
Wikipedia Candesartan
DrugBank APRD00420
ChEBI CHEBI:3347
HMDb HMDB14934
ChemIDPlus 139481597
ChEMBL CHEMBL1016
KEGG C07468; D00522
ChemSpider 2445