U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C27H29N5O6S
Molecular Weight 551.614
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BOSENTAN ANHYDROUS

SMILES

COC1=C(OC2=C(NS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)N=C(N=C2OCCO)C4=NC=CC=N4)C=CC=C1

InChI

InChIKey=GJPICJJJRGTNOD-UHFFFAOYSA-N
InChI=1S/C27H29N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3,(H,30,31,32)

HIDE SMILES / InChI

Approval Year

Name Type Language
BOSENTAN ANHYDROUS
Common Name English
BOSENTAN [MI]
Common Name English
ANHYDROUS BOSENTAN
Common Name English
bosentan [INN]
Common Name English
P-TERT-BUTYL-N-(6-(2-HYDROXYETHOXY)-5-(O-METHOXYPHENOXY)-2-(2-PYRIMIDINYL)-4-PYRIMIDINYL)BENZENESULFONAMIDE
Common Name English
Bosentan [WHO-DD]
Common Name English
BENZENESULFONAMIDE, 4-(1,1-DIMETHYLETHYL)-N-(6-(2-HYDROXYETHOXY)-5-(2-METHOXYPHENOXY)(2,2'-BIPYRIMIDIN)-4-YL)-
Systematic Name English
Classification Tree Code System Code
NDF-RT N0000175581
Created by admin on Fri Dec 15 15:48:14 UTC 2023 , Edited by admin on Fri Dec 15 15:48:14 UTC 2023
NDF-RT N0000175364
Created by admin on Fri Dec 15 15:48:14 UTC 2023 , Edited by admin on Fri Dec 15 15:48:14 UTC 2023
WHO-ATC C02KX01
Created by admin on Fri Dec 15 15:48:14 UTC 2023 , Edited by admin on Fri Dec 15 15:48:14 UTC 2023
Code System Code Type Description
NCI_THESAURUS
C81107
Created by admin on Fri Dec 15 15:48:14 UTC 2023 , Edited by admin on Fri Dec 15 15:48:14 UTC 2023
PRIMARY
CAS
147536-97-8
Created by admin on Fri Dec 15 15:48:14 UTC 2023 , Edited by admin on Fri Dec 15 15:48:14 UTC 2023
PRIMARY
MERCK INDEX
m2625
Created by admin on Fri Dec 15 15:48:14 UTC 2023 , Edited by admin on Fri Dec 15 15:48:14 UTC 2023
PRIMARY Merck Index
EVMPD
SUB05877MIG
Created by admin on Fri Dec 15 15:48:14 UTC 2023 , Edited by admin on Fri Dec 15 15:48:14 UTC 2023
PRIMARY
EVMPD
SUB25414
Created by admin on Fri Dec 15 15:48:14 UTC 2023 , Edited by admin on Fri Dec 15 15:48:14 UTC 2023
PRIMARY
CHEBI
51450
Created by admin on Fri Dec 15 15:48:14 UTC 2023 , Edited by admin on Fri Dec 15 15:48:14 UTC 2023
PRIMARY
EPA CompTox
DTXSID7046627
Created by admin on Fri Dec 15 15:48:14 UTC 2023 , Edited by admin on Fri Dec 15 15:48:14 UTC 2023
PRIMARY
DRUG BANK
DB00559
Created by admin on Fri Dec 15 15:48:14 UTC 2023 , Edited by admin on Fri Dec 15 15:48:14 UTC 2023
PRIMARY
FDA UNII
XUL93R30K2
Created by admin on Fri Dec 15 15:48:14 UTC 2023 , Edited by admin on Fri Dec 15 15:48:14 UTC 2023
PRIMARY
DAILYMED
XUL93R30K2
Created by admin on Fri Dec 15 15:48:14 UTC 2023 , Edited by admin on Fri Dec 15 15:48:14 UTC 2023
PRIMARY
RXCUI
1468845
Created by admin on Fri Dec 15 15:48:14 UTC 2023 , Edited by admin on Fri Dec 15 15:48:14 UTC 2023
PRIMARY RxNorm
PUBCHEM
104865
Created by admin on Fri Dec 15 15:48:14 UTC 2023 , Edited by admin on Fri Dec 15 15:48:14 UTC 2023
PRIMARY
SMS_ID
100000085262
Created by admin on Fri Dec 15 15:48:14 UTC 2023 , Edited by admin on Fri Dec 15 15:48:14 UTC 2023
PRIMARY
INN
7195
Created by admin on Fri Dec 15 15:48:14 UTC 2023 , Edited by admin on Fri Dec 15 15:48:14 UTC 2023
PRIMARY