Pyridinium, 1-β-D-glucopyranuronosyl-3-[(2S)-1-methyl-5-oxo-2-pyrrolidinyl]-, inner salt
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Pyridinium, 1-β-D-glucopyranuronosyl-3-[(2S)-1-methyl-5-oxo-2-pyrrolidinyl]-, inner salt
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CAS No:
139427-57-9
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Formula:
C16H20N2O7
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Chemical Name:
Pyridinium, 1-β-D-glucopyranuronosyl-3-[(2S)-1-methyl-5-oxo-2-pyrrolidinyl]-, inner salt
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Synonyms:
Pyridinium,1-β-D-glucopyranuronosyl-3-[(2S)-1-methyl-5-oxo-2-pyrrolidinyl]-,inner salt;Pyridinium,1-β-D-glucopyranuronosyl-3-(1-methyl-5-oxo-2-pyrrolidinyl)-,inner salt,(S)-;Cotinine-N-glucuronide;152306-60-0;1213257-65-8;1342898-04-7
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CAS No:
Pyridinium, 1-β-D-glucopyranuronosyl-3-[(2S)-1-methyl-5-oxo-2-pyrrolidinyl]-, inner salt Basic Attributes
355.36
352.127
E3PE1559SW
Pyridinium, 1-β-D-glucopyranuronosyl-3-[(2S)-1-methyl-5-oxo-2-pyrrolidinyl]-, inner salt Use and Manufacturing
A major metabolite of Nicotine in humans. Carcinogen.
Computed Properties
Molecular Weight:352.34
XLogP3:-1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:2
Exact Mass:352.12705098
Monoisotopic Mass:352.12705098
Topological Polar Surface Area:134
Heavy Atom Count:25
Complexity:525
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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