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Structure

2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine N-β-D-glucuronide

CAS
133084-70-5
Catalog Number
ACM133084705
Category
Other Products
Molecular Weight
400.39
Molecular Formula
C19H20N4O6

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Specification

Synonyms
1-Deoxy-1-[(1-methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-2-yl)amino]-β-D-glucopyranuronic Acid; PhIP-N-β-D-glucuronide;
IUPAC Name
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(1-methyl-6-phenylimidazo[4,5-b]pyridin-2-yl)amino]oxane-2-carboxylic acid
Canonical SMILES
CN1C2=C(N=CC(=C2)C3=CC=CC=C3)N=C1NC4C(C(C(C(O4)C(=O)O)O)O)O
InChI Key
SQVPGYDPSLNFET-KSXIZUIISA-N
Exact Mass
400.13800
H-Bond Acceptor
9
H-Bond Donor
5
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