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 C13H13N3O3S
Molecular Weight 291.326
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of YM-538853

SMILES

NC1=NC(CC(=O)NC2=CC=C(CC(O)=O)C=C2)=CS1

InChI

InChIKey=ZFNAUJGSRYDGNB-UHFFFAOYSA-N
InChI=1S/C13H13N3O3S/c14-13-16-10(7-20-13)6-11(17)15-9-3-1-8(2-4-9)5-12(18)19/h1-4,7H,5-6H2,(H2,14,16)(H,15,17)(H,18,19)

HIDE SMILES / InChI

Molecular Formula C13H13N3O3S
Molecular Weight 291.326
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 Mon Mar 31 22:43:08 GMT 2025
Edited
by admin
on Mon Mar 31 22:43:08 GMT 2025
Record UNII
8OBH7Z0622
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MIRABEGRON (M8)
Preferred Name English
YM-538853
Common Name English
BENZENEACETIC ACID, 4-((2-(2-AMINO-4-THIAZOLYL)ACETYL)AMINO)-
Systematic Name English
Code System Code Type Description
PUBCHEM
62799987
Created by admin on Mon Mar 31 22:43:08 GMT 2025 , Edited by admin on Mon Mar 31 22:43:08 GMT 2025
PRIMARY
FDA UNII
8OBH7Z0622
Created by admin on Mon Mar 31 22:43:08 GMT 2025 , Edited by admin on Mon Mar 31 22:43:08 GMT 2025
PRIMARY
CAS
1365244-64-9
Created by admin on Mon Mar 31 22:43:08 GMT 2025 , Edited by admin on Mon Mar 31 22:43:08 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE