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 C22H28N2O8
Molecular Weight 448.4663
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-HYDROXY YM-208876 GLUCURONIDE

SMILES

NC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C(CCNC[C@H](O)C3=CC=CC=C3)C=C1

InChI

InChIKey=RTUDXGJPMYKMKG-CQCZEFQHSA-N
InChI=1S/C22H28N2O8/c23-14-7-6-12(8-9-24-11-15(25)13-4-2-1-3-5-13)10-16(14)31-22-19(28)17(26)18(27)20(32-22)21(29)30/h1-7,10,15,17-20,22,24-28H,8-9,11,23H2,(H,29,30)/t15-,17-,18-,19+,20-,22+/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H28N2O8
Molecular Weight 448.4663
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 22:46:13 GMT 2025
Edited
by admin
on Mon Mar 31 22:46:13 GMT 2025
Record UNII
COV0W5ZLZF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-HYDROXY YM-208876 GLUCURONIDE
Common Name English
MIRABEGRON (M17)
Preferred Name English
(2S,3S,4S,5R,6S)-6-(2-AMINO-5-(2-(((R)-2-HYDROXY-2-PHENYLETHYL)AMINO)ETHYL)PHENOXY)-3,4,5-TRIHYDROXYTETRAHYDRO-2H-PYRAN-2-CARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
91827072
Created by admin on Mon Mar 31 22:46:13 GMT 2025 , Edited by admin on Mon Mar 31 22:46:13 GMT 2025
PRIMARY
FDA UNII
COV0W5ZLZF
Created by admin on Mon Mar 31 22:46:13 GMT 2025 , Edited by admin on Mon Mar 31 22:46:13 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE