3-O-Benzylnaltrexone
[CAS# 153567-11-4]

Identification

• Name: 3-O-Benzylnaltrexone
• Synonyms: Morphinan-6-One, 17-(Cyclopropylmethyl)-4,5-Epoxy-14-Hydroxy-3-(Phenylmethoxy)-, (5Alpha)-; 17-(Cyclopropylmethyl)-4,5Alpha-Epoxy-14-Hydroxy-3-(Phenylmethoxy)Morphinan-6-One; 17-(Cyclopropylmethyl)-7-Benzyl-4,5-Epoxy-3,14-Dihydroxymorphinan-6-One
• Molecular Formula: C₂₇H₂₉NO₄
• Molecular Weight: 431.53
• CAS Registry Number: 153567-11-4
• SMILES: [C@]136[C@]7(O)[C@H](N(CC1)CC2CC2)CC5=C3C(=C(OCC4=CC=CC=C4)C=C5)O[C@H]6C(=O)CC7
• InChI: 1S/C27H29NO4/c29-20-10-11-27(30)22-14-19-8-9-21(31-16-18-4-2-1-3-5-18)24-23(19)26(27,25(20)32-24)12-13-28(22)15-17-6-7-17/h1-5,8-9,17,22,25,30H,6-7,10-16H2/t22-,25+,26+,27-/m1/s1
• InChIKey: NIBRTUHQXLSONU-LHIMOPHOSA-N

Properties

• Density: 1.372g/cm³ (Cal.)
• Boiling point: 624.737°C at 760 mmHg (Cal.)
• Flash point: 331.629°C (Cal.)