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

Details

Stereochemistry ABSOLUTE
Molecular Formula C10H14N2O6
Molecular Weight 258.228
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-METHYLPYRAZOLE-N-GLUCOSIDURONIC ACID

SMILES

CC1=CN(N=C1)[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O

InChI

InChIKey=RDHKEWXOYFKHAW-VRGHQRLXSA-N
InChI=1S/C10H14N2O6/c1-4-2-11-12(3-4)9-7(15)5(13)6(14)8(18-9)10(16)17/h2-3,5-9,13-15H,1H3,(H,16,17)/t5-,6-,7+,8-,9+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
4-METHYLPYRAZOLE-N-GLUCOSIDURONIC ACID
Common Name English
.BETA.-D-GLUCOPYRANURONIC ACID, 1-DEOXY-1-(4-METHYL-1H-PYRAZOL-1-YL)-
Systematic Name English
Code System Code Type Description
CAS
37718-09-5
Created by admin on Sat Dec 16 09:33:56 GMT 2023 , Edited by admin on Sat Dec 16 09:33:56 GMT 2023
PRIMARY
FDA UNII
Y4WJ8E9ZS3
Created by admin on Sat Dec 16 09:33:56 GMT 2023 , Edited by admin on Sat Dec 16 09:33:56 GMT 2023
PRIMARY
PUBCHEM
156028059
Created by admin on Sat Dec 16 09:33:56 GMT 2023 , Edited by admin on Sat Dec 16 09:33:56 GMT 2023
PRIMARY