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

Details

Stereochemistry ABSOLUTE
Molecular Formula C16H22N2O6
Molecular Weight 338.3557
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NICOTINE N-GLUCURONIDE

SMILES

CN1CCC[C@H]1C2=C[N+](=CC=C2)[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C([O-])=O

InChI

InChIKey=SAWAIULJDYFLPD-CTTWBBHYSA-N
InChI=1S/C16H22N2O6/c1-17-6-3-5-10(17)9-4-2-7-18(8-9)15-13(21)11(19)12(20)14(24-15)16(22)23/h2,4,7-8,10-15,19-21H,3,5-6H2,1H3/t10-,11-,12-,13+,14-,15+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
NICOTINE N-GLUCURONIDE
Common Name English
NICOTINE N-.BETA.-D-GLUCURONIDE
Common Name English
PYRIDINIUM, 1-.BETA.-D-GLUCOPYRANURONOSYL-3-((2S)-1-METHYL-2-PYRROLIDINYL)-, INNER SALT
Common Name English
Code System Code Type Description
CHEBI
63860
Created by admin on Sat Dec 16 15:21:21 GMT 2023 , Edited by admin on Sat Dec 16 15:21:21 GMT 2023
PRIMARY
PUBCHEM
71751013
Created by admin on Sat Dec 16 15:21:21 GMT 2023 , Edited by admin on Sat Dec 16 15:21:21 GMT 2023
PRIMARY
FDA UNII
CB9VB3OLM0
Created by admin on Sat Dec 16 15:21:21 GMT 2023 , Edited by admin on Sat Dec 16 15:21:21 GMT 2023
PRIMARY
EPA CompTox
DTXSID70858176
Created by admin on Sat Dec 16 15:21:21 GMT 2023 , Edited by admin on Sat Dec 16 15:21:21 GMT 2023
PRIMARY
CAS
153536-53-9
Created by admin on Sat Dec 16 15:21:21 GMT 2023 , Edited by admin on Sat Dec 16 15:21:21 GMT 2023
PRIMARY