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Chemical structure of Azilsartan D5

GC35452

Azilsartan D5

Also known as 3-[[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]-2-(1,1,2,2,2-pentadeuterioethoxy)benzimidazole-4-carboxylic acid

Azilsartan D5 (TAK-536 D5) is the deuterium labeled Azilsartan(TAK-536), which is a specific and potent angiotensin II type 1 receptor antagonist

ChemicalCAS1346599-45-8MW461.48FormulaC25H15D5N4O5
CAS number
1346599-45-8
Molecular weight
461.48
Formula
C25H15D5N4O5
Solubility
DMSO ： 100 mg/mL (216·69 mM; Need ultrasonic); DMSO ： 100 mg/mL (216·69 mM; Need ultrasonic)
InChIKey
KGSXMPPBFPAXLY-ZBJDZAJPSA-N
Catalogue number
GC35452
Brand
GLPBIO
Computed properties PubChem CID 136257809 · XLogP 4.4 · TPSA 115 Ų · H-bond donors 2
XLogP
4.4
TPSA
115 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
34

SMILES [2H]C([2H])([2H])C([2H])([2H])OC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NOC(=O)N5)C(=O)O

Computed descriptors from PubChem (CID 136257809), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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