trans-3′-Hydroxycotinine-O-glucuronide

CAS Registry Number®

132929-88-5
No image available.

CAS Name

trans-3′-Hydroxycotinine-O-glucuronide

Molecular Formula

C16H20N2O8

Molecular Mass

368.34

Cite this Page

trans-3′-Hydroxycotinine-O-glucuronide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=132929-88-5 (retrieved 2024-04-28) (CAS RN: 132929-88-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H20N2O8/c1-18-8(7-3-2-4-17-6-7)5-9(14(18)22)25-16-12(21)10(19)11(20)13(26-16)15(23)24/h2-4,6,8-13,16,19-21H,5H2,1H3,(H,23,24)/t8-,9+,10-,11-,12+,13-,16+/m0/s1

InChIKey

InChIKey=WALNNKZUGHYSCT-MGKNELHOSA-N

SMILES

CN1[C@@H](C[C@@H](O[C@@H]2O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]2O)C1=O)C=3C=CC=NC3

Canonical SMILES

O=C(O)C1OC(OC2C(=O)N(C)C(C=3C=NC=CC3)C2)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (3R,5S)-1-methyl-2-oxo-5-(3-pyridinyl)-3-pyrrolidinyl
  • β-D-Glucopyranosiduronic acid, 1-methyl-2-oxo-5-(3-pyridinyl)-3-pyrrolidinyl, (3R-trans)-
  • (3R,5S)-1-Methyl-2-oxo-5-(3-pyridinyl)-3-pyrrolidinyl β-D-glucopyranosiduronic acid
  • trans-3′-Hydroxycotinine-O-glucuronide

Deleted or Replaced CAS Registry Numbers

1213257-66-9

CAS INSIGHTSTM
Insights teaser
Insights teaser
Insights teaser
Insights teaser