Ciclopirox Beta-D-Glucuronide

Analyte Name

Ciclopirox beta-D-Glucuronide

CAS Number

79419-54-8

Molecular Formula

C18 H25 N O8

Molecular Weight

383.39

Accurate Mass

383.158

SMILES

CC1=CC(=O)N(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O)C(=C1)C3CCCCC3

InChI

InChI=1S/C18H25NO8/c1-9-7-11(10-5-3-2-4-6-10)19(12(20)8-9)27-18-15(23)13(21)14(22)16(26-18)17(24)25/h7-8,10,13-16,18,21-23H,2-6H2,1H3,(H,24,25)/t13-,14-,15+,16-,18-/m0/s1

IUPAC

(2S,3S,4S,5R,6S)-6-(2-cyclohexyl-4-methyl-6-oxopyridin-1-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

API Family

Ciclopirox

Purity

>95% (HPLC)