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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

SMILES

CN1C(=NC2=NC=C(C=C12)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

Approval Year

Name Type Language
N2-Hydroxy-PhIP-N2-glucuronide
Common Name English
β-D-Glucopyranuronic acid, 1-deoxy-1-[hydroxy(1-methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-2-yl)amino]-
Systematic Name English
Code System Code Type Description
PUBCHEM
101621064
Created by admin on Sat Dec 16 19:20:08 GMT 2023 , Edited by admin on Sat Dec 16 19:20:08 GMT 2023
PRIMARY
FDA UNII
Z48CLH5U2Q
Created by admin on Sat Dec 16 19:20:08 GMT 2023 , Edited by admin on Sat Dec 16 19:20:08 GMT 2023
PRIMARY