trans-3'-Hydroxy Cotinine O-b-D-Glucuronide Sodium Salt

Analyte Name

trans-3'-Hydroxy Cotinine O-beta-D-Glucuronide Sodium Salt

Molecular Formula

C16 H19 N2 O8 . Na

Molecular Weight

390.21

Accurate Mass

390.1039

SMILES

[Na+].CN1[C@@H](C[C@@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)[O-])C1=O)c3cccnc3

InChI

InChI=1S/C16H20N2O8.Na/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);/q;+1/p-1/t8-,9+,10-,11-,12+,13-,16+;/m0./s1

IUPAC

sodium;(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(3R,5S)-1-methyl-2-oxo-5-(3-pyridyl)pyrrolidin-3-yl]oxy-tetrahydropyran-2-carboxylate

Alternate CAS Number

132929-88-5

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

>95% (HPLC)