U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula C15H17BrN4O5S
Molecular Weight 445.288
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-((5-(4-BROMOPHENYL)-6-(((PROPYLAMINO)SULFONYL)AMINO)-4-PYRIMIDINYL)OXY)ACETIC ACID

SMILES

CCCNS(=O)(=O)NC1=C(C2=CC=C(Br)C=C2)C(OCC(O)=O)=NC=N1

InChI

InChIKey=IMSGHDWVBCDHNU-UHFFFAOYSA-N
InChI=1S/C15H17BrN4O5S/c1-2-7-19-26(23,24)20-14-13(10-3-5-11(16)6-4-10)15(18-9-17-14)25-8-12(21)22/h3-6,9,19H,2,7-8H2,1H3,(H,21,22)(H,17,18,20)

HIDE SMILES / InChI

Molecular Formula C15H17BrN4O5S
Molecular Weight 445.288
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 Wed Apr 02 04:35:43 GMT 2025
Edited
by admin
on Wed Apr 02 04:35:43 GMT 2025
Record UNII
18SEV1UJF3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ACT 373898
Preferred Name English
2-((5-(4-BROMOPHENYL)-6-(((PROPYLAMINO)SULFONYL)AMINO)-4-PYRIMIDINYL)OXY)ACETIC ACID
Systematic Name English
ACETIC ACID, 2-((5-(4-BROMOPHENYL)-6-(((PROPYLAMINO)SULFONYL)AMINO)-4-PYRIMIDINYL)OXY)-
Systematic Name English
MACITENTAN METABOLITE M5
Common Name English
Code System Code Type Description
FDA UNII
18SEV1UJF3
Created by admin on Wed Apr 02 04:35:43 GMT 2025 , Edited by admin on Wed Apr 02 04:35:43 GMT 2025
PRIMARY
CAS
1433875-14-9
Created by admin on Wed Apr 02 04:35:43 GMT 2025 , Edited by admin on Wed Apr 02 04:35:43 GMT 2025
PRIMARY
PUBCHEM
129011924
Created by admin on Wed Apr 02 04:35:43 GMT 2025 , Edited by admin on Wed Apr 02 04:35:43 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE