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Chemical structure of Fimasartan

GC36046

Fimasartan

Also known as 2-[2-butyl-4-methyl-6-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-5-yl]-N,N-dimethylethanethioamide

Fimasartan(BR-A-657) is a non-peptide angiotensin II receptor antagonist used for the treatment of hypertension and heart failure

ChemicalCAS247257-48-3MW501.65FormulaC27H31N7OS
CAS number
247257-48-3
Molecular weight
501.65
Formula
C27H31N7OS
Solubility
DMSO： ≥ 49 mg/mL (97·68 mM)
InChIKey
AMEROGPZOLAFBN-UHFFFAOYSA-N
Catalogue number
GC36046
Brand
GLPBIO
Computed properties PubChem CID 9870652 · XLogP 3.5 · TPSA 122 Ų · H-bond donors 1
XLogP
3.5
TPSA
122 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
36

SMILES CCCCC1=NC(=C(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CC(=S)N(C)C)C

Computed descriptors from PubChem (CID 9870652), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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