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Chemical structure of Allisartan isoproxil

GC68638

Allisartan isoproxil

Also known as propan-2-yloxycarbonyloxymethyl 2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate

Allisartan isoproxil (ALS-3) is an orally effective, selective, non-peptide inhibitor of the angiotensin II type 1 receptor· It is also a blood pressure-lowering agent that may inhibit the renin-angiotensin-aldosterone system and oxidative stress· Allisartan isoproxil can lower blood pressure and protect organs to prevent cerebral vascular damage· However, in rat models at doses of 80-320 mg/kg/day, it has shown toxicity targeting liver organs

ChemicalCAS947331-05-7MW553.01FormulaC27H29ClN6O5
CAS number
947331-05-7
Molecular weight
553.01
Formula
C27H29ClN6O5
Solubility
DMSO ： 100 mg/mL (180·83 mM; ultrasonic and warming and heat to 60°C)
InChIKey
XMHJQQAKXRUCHI-UHFFFAOYSA-N
Catalogue number
GC68638
Brand
GLPBIO
Computed properties PubChem CID 24748496 · XLogP 6.5 · TPSA 134 Ų · H-bond donors 1
XLogP
6.5
TPSA
134 Ų
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
14
Heavy atoms
39

SMILES CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)OCOC(=O)OC(C)C)Cl

Computed descriptors from PubChem (CID 24748496), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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