6-(3-Phenylpropyl)Oximino Naltrexone
[CAS# 127227-11-6]

Identification

• Name: 6-(3-Phenylpropyl)Oximino Naltrexone
• Synonyms: Morphinan-6-One, 17-(Cyclopropylmethyl)-4,5-Epoxy-3,14-Dihydroxy-, O-(3-Phenylpropyl)Oxime, (5Alpha)-; Npc 836; Npc-836
• Molecular Formula: C₂₉H₃₄N₂O₄
• Molecular Weight: 474.60
• CAS Registry Number: 127227-11-6
• SMILES: [C@]135[C@H]/6OC2=C(O)C=CC(=C12)C[C@@H](N(CC3)CC4CC4)[C@]5(O)CCC6=N/OCCCC7=CC=CC=C7
• InChI: 1S/C29H34N2O4/c32-23-11-10-21-17-24-29(33)13-12-22(30-34-16-4-7-19-5-2-1-3-6-19)27-28(29,25(21)26(23)35-27)14-15-31(24)18-20-8-9-20/h1-3,5-6,10-11,20,24,27,32-33H,4,7-9,12-18H2/b30-22+/t24-,27+,28+,29-/m1/s1
• InChIKey: WTBLSYMDUIKZHR-WSDVTMMXSA-N

Properties

• Density: 1.425g/cm³ (Cal.)
• Boiling point: 663.87°C at 760 mmHg (Cal.)
• Flash point: 355.296°C (Cal.)