Pyridinium, 1-β-D-glucopyranuronosyl-3-[(2S)-1-methyl-5-oxo-2-pyrrolidinyl]-, inner salt
CAS Registry Number®
139427-57-9
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CAS Name
Pyridinium, 1-β-D-glucopyranuronosyl-3-[(2S)-1-methyl-5-oxo-2-pyrrolidinyl]-, inner saltMolecular Formula
C16H20N2O7Cite this Page
Pyridinium, 1-β-D-glucopyranuronosyl-3-[(2S)-1-methyl-5-oxo-2-pyrrolidinyl]-, inner salt. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=139427-57-9 (retrieved ) (CAS RN: 139427-57-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
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
InChIKey=XWZCZWKUGIQPJD-LKUTUIMVSA-N
SMILES
O[C@H]1[C@@H](O[C@H](C([O-])=O)[C@@H](O)[C@@H]1O)[N+]=2C=C(C=CC2)[C@H]3N(C)C(=O)CC3
Canonical SMILES
O=C([O-])C1OC([N+]=2C=CC=C(C2)C3N(C(=O)CC3)C)C(O)C(O)C1O
Other Names for this Substance
- 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
Deleted or Replaced CAS Registry Numbers
152306-60-0, 1213257-65-8, 1342898-04-7
