Analyte Name

Naloxone 3-beta-D-Glucuronide

CAS Number

22135-79-1

Molecular Formula

C25 H29 N O10

Molecular Weight

503.50

Accurate Mass

503.1791

SMILES

O[C@@H]1[C@@H](O)[C@H](Oc2ccc3C[C@H]4N(CC=C)CC[C@@]56[C@@H](Oc2c35)C(=O)CC[C@@]46O)O[C@@H]([C@H]1O)C(=O)O

InChI

InChI=1S/C25H29NO10/c1-2-8-26-9-7-24-15-11-3-4-13(34-23-18(30)16(28)17(29)20(36-23)22(31)32)19(15)35-21(24)12(27)5-6-25(24,33)14(26)10-11/h2-4,14,16-18,20-21,23,28-30,33H,1,5-10H2,(H,31,32)/t14-,16+,17+,18-,20+,21+,23-,24+,25-/m1/s1

IUPAC

(2S,3S,4S,5R,6S)-6-[[(4R,4aS,7aR,12bS)-4a-hydroxy-7-oxo-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-9-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

API Family

Naloxone Hydrochloride; Naloxone