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

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=NC=NC(OCC(O)=O)=C1C2=CC=C(Br)C=C2

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 Sat Dec 16 15:11:07 UTC 2023
Edited
by admin
on Sat Dec 16 15:11:07 UTC 2023
Record UNII
18SEV1UJF3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-((5-(4-BROMOPHENYL)-6-(((PROPYLAMINO)SULFONYL)AMINO)-4-PYRIMIDINYL)OXY)ACETIC ACID
Systematic Name English
ACT 373898
Code 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 Sat Dec 16 15:11:07 UTC 2023 , Edited by admin on Sat Dec 16 15:11:07 UTC 2023
PRIMARY
CAS
1433875-14-9
Created by admin on Sat Dec 16 15:11:07 UTC 2023 , Edited by admin on Sat Dec 16 15:11:07 UTC 2023
PRIMARY
PUBCHEM
129011924
Created by admin on Sat Dec 16 15:11:07 UTC 2023 , Edited by admin on Sat Dec 16 15:11:07 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE