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

Details

Stereochemistry EPIMERIC
Molecular Formula C24H26N4O9
Molecular Weight 514.4846
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of P-HYDROXYMESOCARB GLUCURONIDE

SMILES

CC(CC1=CC=CC=C1)[N+]2=NOC(NC(=O)NC3=CC=C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C([O-])=O)C=C3)=C2

InChI

InChIKey=DDQZEULADNPLPC-NHTXKFPZSA-N
InChI=1S/C24H26N4O9/c1-13(11-14-5-3-2-4-6-14)28-12-17(37-27-28)26-24(34)25-15-7-9-16(10-8-15)35-23-20(31)18(29)19(30)21(36-23)22(32)33/h2-10,12-13,18-21,23,29-31H,11H2,1H3,(H2-,25,26,27,32,33,34)/t13?,18-,19-,20+,21-,23+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
P-HYDROXYMESOCARB GLUCURONIDE
Common Name English
1,2,3-OXADIAZOLIUM, 5-((((4-(.BETA.-D-GLUCOPYRANURONOSYLOXY)PHENYL)AMINO)CARBONYL)AMINO)-3-(1-METHYL-2-PHENYLETHYL)-, INNER SALT
Preferred Name English
HYDROXYMESOCARB GLUCURONIDE
Common Name English
Code System Code Type Description
FDA UNII
9BI734O27D
Created by admin on Mon Mar 31 23:41:48 GMT 2025 , Edited by admin on Mon Mar 31 23:41:48 GMT 2025
PRIMARY
CAS
1235586-25-0
Created by admin on Mon Mar 31 23:41:48 GMT 2025 , Edited by admin on Mon Mar 31 23:41:48 GMT 2025
PRIMARY
PUBCHEM
112500528
Created by admin on Mon Mar 31 23:41:48 GMT 2025 , Edited by admin on Mon Mar 31 23:41:48 GMT 2025
PRIMARY