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Details

Stereochemistry ACHIRAL
Molecular Formula C18H14ClN2O6S2.Na
Molecular Weight 476.886
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SITAXENTAN SODIUM

SMILES

[Na+].CC1=NOC([N-]S(=O)(=O)C2=C(SC=C2)C(=O)CC3=C(C)C=C4OCOC4=C3)=C1Cl

InChI

InChIKey=MDTNUYUCUYPIHE-UHFFFAOYSA-N
InChI=1S/C18H14ClN2O6S2.Na/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;/h3-5,7H,6,8H2,1-2H3;/q-1;+1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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 Fri Dec 15 15:59:18 UTC 2023
Edited
by admin
on Fri Dec 15 15:59:18 UTC 2023
Record UNII
6V9JH46E20
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SITAXENTAN SODIUM
EMA EPAR   USAN   WHO-DD  
USAN  
Official Name English
SITAXENTAN SODIUM [EMA EPAR]
Common Name English
SITAXSENTAN SODIUM SALT
MI  
Common Name English
SITAXSENTAN SODIUM SALT [MI]
Common Name English
TBC-11251 SODIUM
Code English
TBC-11251NA
Code English
Sitaxentan Sodium [WHO-DD]
Common Name English
TBC-11251Z
Code English
THELIN
Common Name English
N-(4-CHLORO-3-METHYL-1,2-OXAZOL-5-YL)-2-(2-(6-METHYL-2H-1,3-BENZODIOXOL-5-YL)ACETYL)THIOPHENE-3-SULFONAMIDE SODIUM SALT
Common Name English
SITAXENTAN SODIUM [USAN]
Common Name English
3-THIOPHENESULFONAMIDE, N-(4-CHLORO-3-METHYL-5-ISOXAZOLYL)-2-(2-(6-METHYL-1,3-BENZODIOXOL-5-YL)ACETYL)-, SODIUM SALT (1:1)
Systematic Name English
SITAXSENTAN SODIUM
Common Name English
Classification Tree Code System Code
EMA ASSESSMENT REPORTS THELIN (AUTHORIZED: HYPERTENSION, PULMONARY)
Created by admin on Fri Dec 15 15:59:18 UTC 2023 , Edited by admin on Fri Dec 15 15:59:18 UTC 2023
FDA ORPHAN DRUG 180803
Created by admin on Fri Dec 15 15:59:18 UTC 2023 , Edited by admin on Fri Dec 15 15:59:18 UTC 2023
EU-Orphan Drug EU/3/04/234
Created by admin on Fri Dec 15 15:59:18 UTC 2023 , Edited by admin on Fri Dec 15 15:59:18 UTC 2023
Code System Code Type Description
MERCK INDEX
m9962
Created by admin on Fri Dec 15 15:59:18 UTC 2023 , Edited by admin on Fri Dec 15 15:59:18 UTC 2023
PRIMARY Merck Index
ChEMBL
CHEMBL282724
Created by admin on Fri Dec 15 15:59:18 UTC 2023 , Edited by admin on Fri Dec 15 15:59:18 UTC 2023
PRIMARY
CAS
210421-74-2
Created by admin on Fri Dec 15 15:59:18 UTC 2023 , Edited by admin on Fri Dec 15 15:59:18 UTC 2023
PRIMARY
DRUG BANK
DBSALT001120
Created by admin on Fri Dec 15 15:59:18 UTC 2023 , Edited by admin on Fri Dec 15 15:59:18 UTC 2023
PRIMARY
FDA UNII
6V9JH46E20
Created by admin on Fri Dec 15 15:59:18 UTC 2023 , Edited by admin on Fri Dec 15 15:59:18 UTC 2023
PRIMARY
EPA CompTox
DTXSID50943352
Created by admin on Fri Dec 15 15:59:18 UTC 2023 , Edited by admin on Fri Dec 15 15:59:18 UTC 2023
PRIMARY
PUBCHEM
11477084
Created by admin on Fri Dec 15 15:59:18 UTC 2023 , Edited by admin on Fri Dec 15 15:59:18 UTC 2023
PRIMARY
USAN
LL-12
Created by admin on Fri Dec 15 15:59:18 UTC 2023 , Edited by admin on Fri Dec 15 15:59:18 UTC 2023
PRIMARY
SMS_ID
100000091727
Created by admin on Fri Dec 15 15:59:18 UTC 2023 , Edited by admin on Fri Dec 15 15:59:18 UTC 2023
PRIMARY
EVMPD
SUB22351
Created by admin on Fri Dec 15 15:59:18 UTC 2023 , Edited by admin on Fri Dec 15 15:59:18 UTC 2023
PRIMARY
NCI_THESAURUS
C152373
Created by admin on Fri Dec 15 15:59:18 UTC 2023 , Edited by admin on Fri Dec 15 15:59:18 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY