Nalmexone hydrochloride
[CAS# 16676-27-0]

Identification

• Name: Nalmexone hydrochloride
• Synonyms: 7,8-Dihydro-14-Hydroxy-N-(3-Methyl-2-Butenyl)Normorphinone Hydrochloride; Morphinan-6-One, 4,5-Epoxy-3,14-Dihydroxy-17-(3-Methyl-2-Butenyl)-. (5Alpha)-, Monohydrochloride; Nalmexone Hydrochloride
• Molecular Formula: C₂₁H₂₆ClNO₄
• Molecular Weight: 391.89
• CAS Registry Number: 16676-27-0
• SMILES: [C@]124[C@]5(O)[C@H](N(CC1)CC=C(C)C)CC3=C2C(=C(O)C=C3)O[C@H]4C(=O)CC5.[H+].[Cl-]
• InChI: 1S/C21H25NO4.ClH/c1-12(2)6-9-22-10-8-20-17-13-3-4-14(23)18(17)26-19(20)15(24)5-7-21(20,25)16(22)11-13;/h3-4,6,16,19,23,25H,5,7-11H2,1-2H3;1H/t16-,19+,20+,21-;/m1./s1
• InChIKey: PJDUKHQNUMOJLL-OPHZJPRHSA-N

Properties

• Boiling point: 550.5°C at 760 mmHg (Cal.)
• Flash point: 286.7°C (Cal.)