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
The endothelin A receptor antagonists PD 156707 (CI-1020) and PD 180988 (CI-1034) reverse the hypoxic pulmonary vasoconstriction in the perinatal lamb.	2002 Aug	12130731

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

Download

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