SITAXENTAN

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H15ClN2O6S2
Molecular Weight	454.905
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SITAXENTAN

Structure Search

SMILES

CC1=NOC(NS(=O)(=O)C2=C(SC=C2)C(=O)CC3=C(C)C=C4OCOC4=C3)=C1Cl

InChI

InChIKey=PHWXUGHIIBDVKD-UHFFFAOYSA-N

InChI=1S/C18H15ClN2O6S2/c1-9-5-13-14(26-8-25-13)7-11(9)6-12(22)17-15(3-4-28-17)29(23,24)21-18-16(19)10(2)20-27-18/h3-5,7,21H,6,8H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C18H15ClN2O6S2
Molecular Weight	454.905
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:43:04 UTC 2023` Edited by `admin` on `Sat Dec 16 17:43:04 UTC 2023`
Record UNII	J9QH779MEM
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

SITAXENTAN

Official Name

English

IPI-1040

Code

English

sitaxentan [INN]

Common Name

English

SITAXSENTAN

Common Name

English

SITAXENTAN [USAN]

Common Name

English

TBC-11251

Code

English

N-(4-CHLORO-3-METHYL-5-ISOXAZOLYL)-2-(3,4-(METHYLENEDIOXY)-6-METHYL)PHENYLACETYL-3-THIOPHENESULFONAMIDE

Common Name

English

Sitaxentan [WHO-DD]

Common Name

English

N-(4-CHLORO-3-METHYL-5-ISOXAZOLYL)-2-((4,5-(METHYLENEDIOXY)-O-TOLY)ACETYL)-3-THIOPHENESULFONAMIDE

Common Name

English

SITAXSENTAN [MI]

Common Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

793420

Created by admin on Sat Dec 16 17:43:05 UTC 2023 , Edited by admin on Sat Dec 16 17:43:05 UTC 2023

WHO-ATC

C02KX03

Created by admin on Sat Dec 16 17:43:05 UTC 2023 , Edited by admin on Sat Dec 16 17:43:05 UTC 2023

WHO-VATC

QC02KX03

Created by admin on Sat Dec 16 17:43:05 UTC 2023 , Edited by admin on Sat Dec 16 17:43:05 UTC 2023

Code System Code Type Description

EPA CompTox

DTXSID0057673

Created by admin on Sat Dec 16 17:43:05 UTC 2023 , Edited by admin on Sat Dec 16 17:43:05 UTC 2023

PRIMARY

MESH

C106276

Created by admin on Sat Dec 16 17:43:05 UTC 2023 , Edited by admin on Sat Dec 16 17:43:05 UTC 2023

PRIMARY

NCI_THESAURUS

C73038

Created by admin on Sat Dec 16 17:43:05 UTC 2023 , Edited by admin on Sat Dec 16 17:43:05 UTC 2023

PRIMARY

WIKIPEDIA

Sitaxentan

Created by admin on Sat Dec 16 17:43:05 UTC 2023 , Edited by admin on Sat Dec 16 17:43:05 UTC 2023

PRIMARY

ChEMBL

CHEMBL282724

Created by admin on Sat Dec 16 17:43:05 UTC 2023 , Edited by admin on Sat Dec 16 17:43:05 UTC 2023

PRIMARY

DRUG BANK

DB06268

Created by admin on Sat Dec 16 17:43:05 UTC 2023 , Edited by admin on Sat Dec 16 17:43:05 UTC 2023

PRIMARY

INN

7952

Created by admin on Sat Dec 16 17:43:05 UTC 2023 , Edited by admin on Sat Dec 16 17:43:05 UTC 2023

PRIMARY

EVMPD

SUB22917

Created by admin on Sat Dec 16 17:43:05 UTC 2023 , Edited by admin on Sat Dec 16 17:43:05 UTC 2023

PRIMARY

DRUG CENTRAL

3548

Created by admin on Sat Dec 16 17:43:05 UTC 2023 , Edited by admin on Sat Dec 16 17:43:05 UTC 2023

PRIMARY

CAS

184036-34-8

Created by admin on Sat Dec 16 17:43:05 UTC 2023 , Edited by admin on Sat Dec 16 17:43:05 UTC 2023

PRIMARY

MERCK INDEX

m9962

Created by admin on Sat Dec 16 17:43:05 UTC 2023 , Edited by admin on Sat Dec 16 17:43:05 UTC 2023

PRIMARY

Merck Index

FDA UNII

J9QH779MEM

Created by admin on Sat Dec 16 17:43:05 UTC 2023 , Edited by admin on Sat Dec 16 17:43:05 UTC 2023

PRIMARY

IUPHAR

3950

Created by admin on Sat Dec 16 17:43:05 UTC 2023 , Edited by admin on Sat Dec 16 17:43:05 UTC 2023

PRIMARY

PUBCHEM

216235

Created by admin on Sat Dec 16 17:43:05 UTC 2023 , Edited by admin on Sat Dec 16 17:43:05 UTC 2023

PRIMARY

SMS_ID

100000087992

Created by admin on Sat Dec 16 17:43:05 UTC 2023 , Edited by admin on Sat Dec 16 17:43:05 UTC 2023

PRIMARY

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SITAXENTAN SODIUM

SALT/SOLVATE -> PARENT

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ENDOTHELIN-1 RECEPTOR

TARGET -> INHIBITOR

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					E3J5CXS29H

1-KETO-2-HYDROXYSITAXENTAN

METABOLITE -> PARENT

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					Z8XG76J39S

3-THIOPHENESULFONAMIDE, N-(4-CHLORO-3-METHYL-5-ISOXAZOLYL)-2-(2-(4,5-DIHYDROXY-2-METHYLPHENYL)ACETYL)-

METABOLITE -> PARENT

Interaction Type:

IN-VITRO

Amount:


					9Y2LY1JIQK

.GAMMA.-GLUTAMYL-S-(2-(2-(3-(((4-CHLORO-3-METHYL-5-ISOXAZOLYL)AMINO)SULFONYL)-2-THIENYL)-2-OXOETHYL)-5,6-DIHYDROXY-3-METHYLPHENYL)-L-CYSTEINYL-GLYCINE, L-

METABOLITE INACTIVE -> PARENT

Interaction Type:

IN-VITRO

Amount:


					G89962M5AF

1,2-DIKETOSITAXENTAN

METABOLITE -> PARENT

Amount:

Related Record Type Details


					J9QH779MEM

ACTIVE MOIETY

Amount: