1-(beta-D-Glucopyranosyluronosyl)-3-[(2S)-1-methyl-5-oxo-2-pyrrolidinyl]pyridinium | CAS No. 139427-57-9

1-(beta-D-Glucopyranosyluronosyl)-3-[(2S)-1-methyl-5-oxo-2-pyrrolidinyl]pyridinium

Basic Information

CAS Number

139427-57-9

Molecular Formula

C16H20N2O7

Molecular Weight

352.34 g/mol

AD

Basic Physical Properties

Melting Point

158°C (dec)

CN1C(CCC1=O)C2=C[N+](=CC=C2)C3C(C(C(C(O3)C(=O)[O-])O)O)O

InChI

InChI=1S/C16H20N2O7/c1-17-9(4-5-10(17)19)8-3-2-6-18(7-8)15-13(22)11(20)12(21)14(25-15)16(23)24/h2-3,6-7,9,11-15,20-22H,4-5H2,1H3/t9-,11-,12-,13+,14-,15+/m0/s1

InChIKey

XWZCZWKUGIQPJD-LKUTUIMVSA-N

LogP

-3.06470

Complexity

525

Synonyms & References

English

  • Pyridinium, 1-beta-D-glucopyranuronosyl-3-[(2S)-1-methyl-5-oxo-2-pyrrolidinyl]-, inner salt
  • (2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-(3-((S)-1-methyl-5-oxopyrrolidin-2-yl)pyridin-1-ium-1-yl)tetrahydro-2H-pyran-2-carboxylate
  • UNII-E3PE1559SW
  • COTININE N-.BETA.-D-GLUCURONIDE
  • E3PE1559SW
  • Cotinine N-beta-D-Glucuronide
  • Pyridinium, 1-beta-D-glucopyranuronosyl-3-(1-methyl-5-oxo-2-pyrrolidinyl)-, inner salt, (S)-
  • DTXSID60930470
  • PYRIDINIUM, 1-.BETA.-D-GLUCOPYRANURONOSYL-3-((2S)-1-METHYL-5-OXO-2-PYRROLIDINYL)-, INNER SALT
  • 139427-57-9
  • Cotinine-N-glucuronide
  • (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[3-[(2S)-1-methyl-5-oxopyrrolidin-2-yl]pyridin-1-ium-1-yl]oxane-2-carboxylate
  • Cotinine N-glucuronide
  • Pyridinium, 1-b-D-glucopyranuronosyl-3-[(2S)-1-methyl-5-oxo-2-pyrrolidinyl]-,inner salt
  • CNG
  • Cotinine N-β-D-Glucuronide
  • COTININE-N-B-D-GLUCURONIDE
  • (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{3-[(2S)-1-methyl-5-oxopyrrolidin-2-yl]pyridinium-1-yl}tetrahydro-2H-pyran-2-carboxylate (non-preferred name)
  • COTININE-N-A-D-GLUCURONIDE
  • COTININE-N-ALPHA-D-GLUCURONIDE
  • COTININE-N-B-D-GLUCURONIDE, METHYL-D3
  • COTININE-N-BETA-D-GLUCURONIDE
  • COTININE-N-BETA-D-GLUCURONIDE, METHYL-D3
  • N-BETA-D-GLUCOPYRANURONOSYL-(S)-(-)-COTINIUM INNER SALT

MDL Number

MFCD02683301

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