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 ABSOLUTE
Molecular Formula C27H32N4O9S
Molecular Weight 588.629
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of YM-9636324

SMILES

NC1=NC(CC(=O)NC2=CC=C(CCN(C[C@H](O)C3=CC=CC=C3)O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C=C2)=CS1

InChI

InChIKey=PPZPAYKGJINYBZ-FBZAMZGSSA-N
InChI=1S/C27H32N4O9S/c28-27-30-18(14-41-27)12-20(33)29-17-8-6-15(7-9-17)10-11-31(13-19(32)16-4-2-1-3-5-16)40-26-23(36)21(34)22(35)24(39-26)25(37)38/h1-9,14,19,21-24,26,32,34-36H,10-13H2,(H2,28,30)(H,29,33)(H,37,38)/t19-,21-,22-,23+,24-,26-/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H32N4O9S
Molecular Weight 588.629
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

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
RJ1WP0LG74
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
YM-9636324
Common Name English
MIRABEGRON (M15)
Preferred Name English
(2S,3S,4S,5R,6S)-6-(((4-(2-(2-AMINOTHIAZOL-4-YL)ACETAMIDO)PHENETHYL)((R)-2-HYDROXY-2-PHENYLETHYL)AMINO)OXY)-3,4,5-TRIHYDROXYTETRAHYDRO-2H-PYRAN-2-CARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
91810676
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
RJ1WP0LG74
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
1365244-69-4
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