O-Desethyl Candesartan

Base Information

• Chemical Name: O-Desethyl Candesartan
• CAS No.: 168434-02-4
• Molecular Formula: C22H16 N6 O3
• Molecular Weight: 412.4
• UNII: RMN65A337Y
• DSSTox Substance ID: DTXSID60434746
• Nikkaji Number: J750.228A
• Wikidata: Q27288196
• Metabolomics Workbench ID: 42498
• Mol file: 168434-02-4.mol

Synonyms:O-Desethyl Candesartan;168434-02-4;CV-15959;CV 15959;UNII-RMN65A337Y;RMN65A337Y;2-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1H-benzimidazole-4-carboxylic acid;1H-Benzimidazole-4-carboxylic acid, 2,3-dihydro-2-oxo-3-((2'-(2H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-;1H-Benzimidazole-4-carboxylic acid, 2,3-dihydro-2-oxo-3-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-;SCHEMBL4935797;DTXSID60434746;CHEBI:145224;AKOS030254783;Q27288196;2-hydroxy-1-({4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)-1H-1,3-benzodiazole-7-carboxylic acid;2-oxo-3-{[2'-(1H-tetrazol-5-yl)[biphenyl]-4-yl]methyl}-2,3-dihydro-1H-benzimidazole-4-carboxylic acid;2-Oxo-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-2,3-dihydro-1H-benzimidazole-4-carboxylic acid

Chemical Property of O-Desethyl Candesartan

Chemical Property:

• Melting Point: >257°C (dec.)
• PKA: 3.75±0.20(Predicted)
• PSA: 129.81000
• Density: 1.464±0.06 g/cm3(Predicted)
• LogP: 3.33550
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Slightly, Sonicated), Methanol (Slightly, Heated, Sonicated)
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 412.12838839
• Heavy Atom Count: 31
• Complexity: 670

Purity/Quality:

99.90% ^*data from raw suppliers

O-DesethylCandesartan ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C2=CC=C(C=C2)CN3C4=C(C=CC=C4NC3=O)C(=O)O)C5=NNN=N5
• Uses: O-Desethyl Candesartan is a metabolite of Candesartan (C175575) in human blood plasma and urine.