FANDOSENTAN POTASSIUM

Details

Stereochemistry	ACHIRAL
Molecular Formula	C25H17F3NO6S.K
Molecular Weight	555.564
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[K+].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=MZWCHWWQSPPZRH-UHFFFAOYSA-M

InChI=1S/C25H18F3NO6S.K/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);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula	K
Molecular Weight	39.0983
Charge	1
Count

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

Molecular Formula	C25H17F3NO6S
Molecular Weight	516.466
Charge	-1
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.	2002-08	12130731

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:27:19 GMT 2025` Edited by `admin` on `Mon Mar 31 18:27:19 GMT 2025`
Record UNII	14U0D2SA4K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FANDOSENTAN POTASSIUM

Official Name

English

CI-1034

Preferred Name

English

PD-0180988-0016

Code

English

PD-180988

Code

English

Potassium 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 180988-0016

Code

English

PD 180988

Code

English

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

Common Name

English

FANDOSENTAN POTASSIUM [USAN]

Common Name

English

PD-180988-0016

Code

English

FANDOSENTAN POTASSIUM SALT

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID5047249