49625-89-0

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49625-89-0 Structure

Identification	Back Directory
[Name] 6-BETA-NALTREXOL HCL
[CAS] 49625-89-0
[Synonyms] -NALTREXOL 6b-Naltrexo b-Naltrexol 6-Naltrexol a-Naltrexol 6-β-Naltrexol HCl 6-Hydroxynaltrexone 6a-Hydroxynaltrexone 6-BETA-NALTREXOL HCL 6b-Hydroxynaltrexone 6β-Naltrexol solution 6 beta-hydroxynaltrexone 17-(Cyclopropylmethyl)-4,5a-epoxy-morphinan-3,6a,14-triol 17-(Cyclopropylmethyl)-4,5-epoxy-(5a,6)-morphinan-3,6,14-triol 17-(CyclopropylMethyl)-4,5-epoxy-(5α,6β)-Morphinan-3,6,14-triol (5a,6a)-17-(Cyclopropylmethyl)-4,5-epoxy-morphinan-3,6,14-triol 17-(Cyclopropylmethyl)-4,5-epoxy-(5a,6b)-morphinan-3,6,14-triol
[Molecular Formula] C20H25NO4
[MDL Number] MFCD08063676
[MOL File] 49625-89-0.mol
[Molecular Weight] 343.42

Chemical Properties	Back Directory
[Appearance] Light Yellow Solid
[Melting point ] 90-96?C
[Boiling point ] 557.5±50.0 °C(Predicted)
[density ] 1.48±0.1 g/cm3(Predicted)
[Fp ] 9℃
[storage temp. ] Refrigerator
[form ] liquid
[pka] 9.39±0.60(Predicted)
[Major Application] forensics and toxicology
[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
[InChIKey] JLVNEHKORQFVQJ-PYIJOLGTSA-N
[SMILES] OC1=C(O2)C([C@]([C@@H]2[C@H](O)CC3)(CCN4CC5CC5)[C@]3(O)[C@H]4C6)=C6C=C1

Hazard Information	Back Directory
[Chemical Properties] Light Yellow Solid
[Uses] A metabolite of Naltrexone. Narcotic antagonist
[Uses] An isotope Labelled metabolite of Naltrexone. Narcotic antagonist.
[Definition] ChEBI: 6alpha-Naltrexol is a member of phenanthrenes.

Safety Data	Back Directory
[Hazard Codes ] F,T
[Risk Statements ] 11-23/24/25-39/23/24/25
[Safety Statements ] 16-36/37-45
[RIDADR ] UN1230 - class 3 - PG 2 - Methanol, solution
[WGK Germany ] 1
[Storage Class] 3 - Flammable liquids
[Hazard Classifications] Acute Tox. 3 Dermal Acute Tox. 3 Inhalation Acute Tox. 3 Oral Flam. Liq. 2 STOT SE 1

Spectrum Detail	Back Directory
[Spectrum Detail] 6-BETA-NALTREXOL HCL(49625-89-0)¹HNMR

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