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Product Overview

Product Code

TRC-N285700

CAS Number

49625-89-0

Product Format

Neat

Molecular Formula

C20 H25 N O4

Molecular Weight

343.42

Product Categories

TRC, Enzyme inhibitors, Opiate and Opioid Reference Materials , Opiates, Additional Neuro Products

Product Type

Impurity, Metabolite

Alternate CAS Number

Hydrochloride salt: 55488-86-3

Documentation

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Product Information

Chemical Data

Analyte Name

6 beta-Naltrexol

CAS Number

49625-89-0

Molecular Formula

C20 H25 N O4

Molecular Weight

343.42

Accurate Mass

343.1784

SMILES

O[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC6CC6)c45

InChI

InChI=1S/C20H25NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,14-15,18,22-24H,1-2,5-10H2/t14-,15-,18+,19+,20-/m1/s1

IUPAC

(4R,4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol

Alternate CAS Number

Hydrochloride salt: 55488-86-3

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Product Description

A metabolite of Naltrexone. Narcotic antagonist.

References: Portoghese, P., et al,: J. Med. Chem., 37, 579 (1994)

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