FANDOSENTAN

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 Search

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

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://adisinsight.springer.com/drugs/800010621 | https://www.ncbi.nlm.nih.gov/pubmed/11078412

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

Title	Date	PubMed

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:02:21 UTC 2023` Edited by `admin` on `Fri Dec 15 16:02:21 UTC 2023`
Record UNII	771E5ELJ7N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FANDOSENTAN

Official Name

English

4-(7-ETHYL-1,3-BENZODIOXOL-5-YL)-2-(2-(TRIFLUOROMETHYL)PHENYL)-2H-1,2-BENZOTHIAZINE-3-CARBOXYLATE 1,1-DIOXIDE

Systematic Name

English

PD-180988 FREE ACID

Code

English

2H-1,2-BENZOTHIAZINE-3-CARBOXYLIC ACID, 4-(7-ETHYL-1,3-BENZODIOXOL-5-YL)-2-(2-(TRIFLUOROMETHYL)PHENYL)-, 1,1-DIOXIDE

Common Name

English

fandosentan [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C270