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Details

Stereochemistry ACHIRAL
Molecular Formula C25H18F3NO6S
Molecular Weight 517.474
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FANDOSENTAN

SMILES

CCC1=C2OCOC2=CC(=C1)C3=C(N(C4=CC=CC=C4C(F)(F)F)S(=O)(=O)C5=CC=CC=C35)C(O)=O

InChI

InChIKey=YMGQBWRXNCAABF-UHFFFAOYSA-N
InChI=1S/C25H18F3NO6S/c1-2-14-11-15(12-19-23(14)35-13-34-19)21-16-7-3-6-10-20(16)36(32,33)29(22(21)24(30)31)18-9-5-4-8-17(18)25(26,27)28/h3-12H,2,13H2,1H3,(H,30,31)

HIDE SMILES / InChI

Molecular Formula C25H18F3NO6S
Molecular Weight 517.474
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

Fandosentan (CI 1034 or PD 180988) is an endothelin A receptor antagonist. It inhibits pulmonary vasoconstriction. Fandosentan was being developed for the treatment of chronic obstructive pulmonary disease and pulmonary hypertension.

Originator

Approval Year

PubMed

Substance Class Chemical
Record UNII
771E5ELJ7N
Record Status Validated (UNII)
Record Version