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

Details

Stereochemistry ACHIRAL
Molecular Formula C26H27N5O6S
Molecular Weight 537.587
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DEMETHOXYBOSENTAN

SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(OC3=CC=CC=C3O)C(OCCO)=NC(=N2)C4=NC=CC=N4

InChI

InChIKey=STTLKJGYAWXIPP-UHFFFAOYSA-N
InChI=1S/C26H27N5O6S/c1-26(2,3)17-9-11-18(12-10-17)38(34,35)31-22-21(37-20-8-5-4-7-19(20)33)25(36-16-15-32)30-24(29-22)23-27-13-6-14-28-23/h4-14,32-33H,15-16H2,1-3H3,(H,29,30,31)

HIDE SMILES / InChI

Approval Year

Name Type Language
DEMETHOXYBOSENTAN
Common Name English
BENZENESULFONAMIDE, 4-(1,1-DIMETHYLETHYL)-N-(6-(2-HYDROXYETHOXY)-5-(2-HYDROXYPHENOXY)(2,2'-BIPYRIMIDIN)-4-YL)-
Systematic Name English
4-(1,1-DIMETHYLETHYL)-N-(6-(2-HYDROXYETHOXY)-5-(2-HYDROXYPHENOXY)(2,2'-BIPYRIMIDIN)-4-YL)BENZENESULFONAMIDE
Systematic Name English
RO-47-8634
Code English
BOSENTAN METABOLITE, RO 47-8634
Common Name English
Code System Code Type Description
PUBCHEM
6426756
Created by admin on Sat Dec 16 13:59:12 GMT 2023 , Edited by admin on Sat Dec 16 13:59:12 GMT 2023
PRIMARY
EPA CompTox
DTXSID10423786
Created by admin on Sat Dec 16 13:59:12 GMT 2023 , Edited by admin on Sat Dec 16 13:59:12 GMT 2023
PRIMARY
CAS
253688-61-8
Created by admin on Sat Dec 16 13:59:12 GMT 2023 , Edited by admin on Sat Dec 16 13:59:12 GMT 2023
PRIMARY
FDA UNII
N373R7N42R
Created by admin on Sat Dec 16 13:59:12 GMT 2023 , Edited by admin on Sat Dec 16 13:59:12 GMT 2023
PRIMARY