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Home > Encyclopedia > Pyridinium, 1-β-D-glucopyranuronosyl-3-[(2S)-1-methyl-5-oxo-2-pyrrolidinyl]-, inner salt

Pyridinium, 1-β-D-glucopyranuronosyl-3-[(2S)-1-methyl-5-oxo-2-pyrrolidinyl]-, inner salt

Pyridinium, 1-β-D-glucopyranuronosyl-3-[(2S)-1-methyl-5-oxo-2-pyrrolidinyl]-, inner salt structure

Pyridinium, 1-β-D-glucopyranuronosyl-3-[(2S)-1-methyl-5-oxo-2-pyrrolidinyl]-, inner salt 

structure
  • CAS No:

    139427-57-9

  • Formula:

    C16H20N2O7

  • Chemical Name:

    Pyridinium, 1-β-D-glucopyranuronosyl-3-[(2S)-1-methyl-5-oxo-2-pyrrolidinyl]-, inner salt

  • 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

  • Categories:

    Chemical Reagents  >  Deuterated Reagents

Description

Off-White Crystalline Solid

Pyridinium, 1-β-D-glucopyranuronosyl-3-[(2S)-1-methyl-5-oxo-2-pyrrolidinyl]-, inner salt Basic Attributes

355.36

352.127

E3PE1559SW

Characteristics

134

-1

158°C (dec)

Hygroscopic, -20°C Freezer, Under Inert Atmosphere

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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