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β-Naltrexol

β-Naltrexol structure

CAS No:
49625-89-0
Formula:
C20H25NO4
Chemical Name:
β-Naltrexol
Synonyms:
Morphinan-3,6,14-triol,17-(cyclopropylmethyl)-4,5-epoxy-,(5α,6β)-;(5α,6β)-17-(Cyclopropylmethyl)-4,5-epoxymorphinan-3,6,14-triol;17-(Cyclopropylmethyl)-4,5α-epoxy-3,14-dihydroxymorphinan-6β-ol;6β-Hydroxynaltrexone;β-Naltrexol;6β-Naltrexol
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Light Yellow Solid

β-Naltrexol Basic Attributes

Molecular Weight：

343.42

Exact Mass：

343.42

UNII：

J0W963M37T

DSSTox ID：

DTXSID80197942

Characteristics

PSA：

73.2

XLogP3：

-0.4

Density：

1.48±0.1 g/cm3(Predicted)

Melting Point：

175-177 °C @ Solvent: Ethyl acetate, Hexane

Flash Point：

9℃

Storage Conditions：

Refrigerator

Safety Information

Transport codes：

UN1230 - class 3 - PG 2 - Methanol, solution

wgk germany：

hazard class code：

11-23/24/25-39/23/24/25

safety instructions：

16-36/37-45

Marks：

F,T

Drug Information

MeSH Entry Terms：

6 alpha-hydroxynaltrexone

β-Naltrexol Use and Manufacturing

An isotope Labelled metabolite of Naltrexone. Narcotic antagonist.

Computed Properties

Molecular Weight:343.4
XLogP3:-0.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:343.17835828
Monoisotopic Mass:343.17835828
Topological Polar Surface Area:73.2
Heavy Atom Count:25
Complexity:582
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes