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Naltrexol-[d4]

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General Information
Catalog: BLP-006050
CAS: 1279034-32-0
Molecular Formula: C20H21D4NO4
Molecular Weight: 347.45

Chemical Structure

Description	Naltrexol-[d4] is the labelled analogue of Naltrexol, which is a metabolite of Naltrexone. Naltrexone is a medication used to treat alcohol dependence and opioid dependence. It acts as a potent, peripherally selective opioid neutral antagonist.
Synonyms	Naltrexol D4; 6β-Naltrexol-d4; 6 beta Naltrexol D4
IUPAC Name	(4R,4aS,7R,7aR,12bS)-3-[(2,2,3,3-tetradeuteriocyclopropyl)methyl]-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol
Related CAS	49625-89-0 (unlabelled)
Isomeric SMILES	[2H][C@]12[C@](C(C[C@@]3([C@]14CCN([C@@H]3CC5=C4C(=C(C=C5)O)O2)CC6CC6)O)([2H])[2H])([2H])O
Canonical SMILES	C1CC1CN2CCC34C5C(CCC3(C2CC6=C4C(=C(C=C6)O)O5)O)O
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/i1D2,2D2
InChI Key	JLVNEHKORQFVQJ-YQXSLOMVSA-N
Purity	98% HPLC
Solubility	Soluble in DMSO, Chlorofrom, Methanol
Appearance	White to Off-white Solid
Storage	Store at 2-8°C