COTININE N-GLUCURONIDE

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 Search

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 UTC 2023` Edited by `admin` on `Sat Dec 16 15:22:32 UTC 2023`
Record UNII	E3PE1559SW
Record Status	`Validated (UNII)`
Record Version

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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 UTC 2023 , Edited by admin on Sat Dec 16 15:22:32 UTC 2023

PRIMARY

FDA UNII

E3PE1559SW

Created by admin on Sat Dec 16 15:22:32 UTC 2023 , Edited by admin on Sat Dec 16 15:22:32 UTC 2023

PRIMARY

PUBCHEM

178540

Created by admin on Sat Dec 16 15:22:32 UTC 2023 , Edited by admin on Sat Dec 16 15:22:32 UTC 2023

PRIMARY

EPA CompTox

DTXSID60930470

Created by admin on Sat Dec 16 15:22:32 UTC 2023 , Edited by admin on Sat Dec 16 15:22:32 UTC 2023

PRIMARY

Related Record Type Details


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NICOTINE

PARENT -> METABOLITE

Comments:

The extent of Cotinine N-glucuronidation by African Americans is significantly lower than by Whites.