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6β-Naltrexol-d4

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Chemical compound

Pharmaceutical compound

6β-Naltrexol-d4
Clinical data

ATC code	None
Identifiers
IUPAC name (1S,5R,13R,14R,17S)-4-(cyclopropylmethyl)(13,14,15,15-²H₄)-12-oxa-4-azapentacyclo[9.6.1.0^1,13.0^5,17.0^7,18]octadeca-7(18),8,10-triene-10,14,17-triol
CAS Number	1279034-32-0
PubChemCID	46782432
ChemSpider	58783513
CompTox Dashboard(EPA)	DTXSID501018245
Chemical and physical data
Formula	C₂₀H₂₁D₄NO₄
Molar mass	347.445 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES O[C@@]1(C(C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@]1([C@]2(CCN3CC6CC6)c45)[2H])([2H])[2H])[2H]
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/i5D2,14D,18D Key:JLVNEHKORQFVQJ-NCRVCFHNSA-N

6β-Naltrexol-d4, also known as6β-hydroxynaltrexone-d4, is adeuterium-labeled form of6β-naltrexol used forNMR imaging. Unlikeopioid inverse agonists such asnaloxone andnaltrexone (which are often dubbed "antagonists" for simplicity's sake), 6β-naltrexol and 6β-naltrexol-d4 are opioidneutral antagonists.^[1]