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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H20N2O7
Molecular Weight 352.3392
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of COTININE N-GLUCURONIDE

SMILES

CN1[C@@H](CCC1=O)C2=C[N+](=CC=C2)[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C([O-])=O

InChI

InChIKey=XWZCZWKUGIQPJD-LKUTUIMVSA-N
InChI=1S/C16H20N2O7/c1-17-9(4-5-10(17)19)8-3-2-6-18(7-8)15-13(22)11(20)12(21)14(25-15)16(23)24/h2-3,6-7,9,11-15,20-22H,4-5H2,1H3/t9-,11-,12-,13+,14-,15+/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H20N2O7
Molecular Weight 352.3392
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 Sat Dec 16 15:22:32 GMT 2023
Edited
by admin
on Sat Dec 16 15:22:32 GMT 2023
Record UNII
E3PE1559SW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
COTININE N-GLUCURONIDE
Common Name English
PYRIDINIUM, 1-.BETA.-D-GLUCOPYRANURONOSYL-3-((2S)-1-METHYL-5-OXO-2-PYRROLIDINYL)-, INNER SALT
Systematic Name English
COTININE N-.BETA.-D-GLUCURONIDE
Common Name English
Code System Code Type Description
CAS
139427-57-9
Created by admin on Sat Dec 16 15:22:32 GMT 2023 , Edited by admin on Sat Dec 16 15:22:32 GMT 2023
PRIMARY
FDA UNII
E3PE1559SW
Created by admin on Sat Dec 16 15:22:32 GMT 2023 , Edited by admin on Sat Dec 16 15:22:32 GMT 2023
PRIMARY
PUBCHEM
178540
Created by admin on Sat Dec 16 15:22:32 GMT 2023 , Edited by admin on Sat Dec 16 15:22:32 GMT 2023
PRIMARY
EPA CompTox
DTXSID60930470
Created by admin on Sat Dec 16 15:22:32 GMT 2023 , Edited by admin on Sat Dec 16 15:22:32 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
The extent of Cotinine N-glucuronidation by African Americans is significantly lower than by Whites.