N2-Hydroxy-PhIP-N2-glucuronide

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H20N4O7
Molecular Weight	416.3847
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N2-Hydroxy-PhIP-N2-glucuronide

Structure Search

SMILES

CN1C(=NC2=C1C=C(C=N2)C3=CC=CC=C3)N(O)[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O

InChI

InChIKey=LFTPLKZVZBHHME-KSXIZUIISA-N

InChI=1S/C19H20N4O7/c1-22-11-7-10(9-5-3-2-4-6-9)8-20-16(11)21-19(22)23(29)17-14(26)12(24)13(25)15(30-17)18(27)28/h2-8,12-15,17,24-26,29H,1H3,(H,27,28)/t12-,13-,14+,15-,17+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C19H20N4O7
Molecular Weight	416.3847
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 15:08:30 GMT 2025` Edited by `admin` on `Wed Apr 02 15:08:30 GMT 2025`
Record UNII	Z48CLH5U2Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N2-Hydroxy-PhIP-N2-glucuronide

Common Name

English

?-D-Glucopyranuronic acid, 1-deoxy-1-[hydroxy(1-methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-2-yl)amino]-

Preferred Name

English

Code System Code Type Description

PUBCHEM

101621064

Created by admin on Wed Apr 02 15:08:30 GMT 2025 , Edited by admin on Wed Apr 02 15:08:30 GMT 2025

PRIMARY

FDA UNII

Z48CLH5U2Q

Created by admin on Wed Apr 02 15:08:30 GMT 2025 , Edited by admin on Wed Apr 02 15:08:30 GMT 2025

PRIMARY

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