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

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:25:01 UTC 2023` Edited by `admin` on `Fri Dec 15 16:25:01 UTC 2023`
Record UNII	14U0D2SA4K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FANDOSENTAN POTASSIUM

Official 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

CI-1034

Code

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