Analyte Name

Axitinib N-b Glucuronide Sodium

Molecular Formula

C28H25N4O7S.Na

Molecular Weight

584.57

Accurate Mass

584.13

SMILES

CNC(=O)c1ccccc1Sc2ccc3c(\C=C\c4ccccn4)nn([C@@H]5OC([C@@H](O)[C@H](O)C5O)C(=O)O[Na])c3c2

InChI

InChI=1S/C28H26N4O7S.Na/c1-29-26(36)18-7-2-3-8-21(18)40-16-10-11-17-19(12-9-15-6-4-5-13-30-15)31-32(20(17)14-16)27-24(35)22(33)23(34)25(39-27)28(37)38;/h2-14,22-25,27,33-35H,1H3,(H,29,36)(H,37,38);/q;+1/p-1/b12-9+;/t22-,23-,24?,25?,27+;/m0./s1

IUPAC

[(3S,4S,6R)-3,4,5-trihydroxy-6-[6-[2-(methylcarbamoyl)phenyl]sulfanyl-3-[(E)-2-(2-pyridyl)vinyl]indazol-1-yl]tetrahydropyran-2-carbonyl]oxysodium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat