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1435727-11-9

1435727-11-9 Structure

1435727-11-9 Structure
IdentificationBack Directory
[Name]

6.beta.-Naltrexol-d3
[CAS]

1435727-11-9
[Synonyms]

6β-Naltrexol-d3
6.beta.-Naltrexol-d3
6β-Naltrexol-d3 (CRM)
6.beta.-Naltrexol-d3 (CRM)
(5α,6β)-17-(cyclopropylmethyl)-4,5-epoxy-d3-morphinan-3,6,14-triol
(5α,6β)-17-(cyclopropylmethyl)-4,5-epoxy-d3-morphinan-3,6,14-triol
[Molecular Formula]

C20H22D3NO4
[MDL Number]

MFCD32672122
[MOL File]

1435727-11-9.mol
[Molecular Weight]

346.435
Chemical PropertiesBack Directory
[storage temp. ]

-20°C
[form ]

A neat solid
[Major Application]

forensics and toxicology
[InChIKey]

JLVNEHKORQFVQJ-ZNMQZXPKSA-N
[SMILES]

[2H]C([2H])(N1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@]2(O)CC[C@H]4O)c35)C6([2H])CC6
Safety DataBack Directory
[WGK Germany ]

WGK 2
[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
Hazard InformationBack Directory
[Description]

6β-Naltrexol-d3 (Item No. 18350) is an analytical reference material intended for use as an internal standard for the quantification of 6β-naltrexol by GC- or LC-MS. 6β-Naltrexol is the major metabolite of naltrexone (Item Nos. ISO60192 | 15520). It is a neutral μ-opioid receptor antagonist (Ki = 94 pM). This product is intended for research and forensic applications.
[Uses]

6β-Naltrexol-d3 (6β-Hydroxynaltrexone-d3) is deuterium labeled 6β-Naltrexol. 6β-Naltrexol (6β-Hydroxynaltrexone), the primary metabolite of Naltrexone, is a peripherally selective opioid antagonist. 6β-Naltrexol selectively inhibits gastrointestinal opioid effects in human subjects and inhibits Morphine-induced slowing of gastrointestinal transit[1][2].
[References]

[1] Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216. DOI:10.1177/1060028018797110
[2] Cone EJ, et al. Biosynthesis, isolation, and identification of 6-beta-hydroxynaltrexone, a major human metabolite of naltrexone. J Pharm Sci. 1975 Apr;64(4):618-21. DOI:10.1002/jps.2600640409
[3] Yancey-Wrona J, et al. 6β-naltrexol, a peripherally selective opioid antagonist that inhibits morphine-induced slowing of gastrointestinal transit: an exploratory study. Pain Med. 2011 Dec;12(12):1727-37. DOI:10.1111/j.1526-4637.2011.01279.x
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