7-Benzylidenenaltrexone
[CAS# 129468-28-6]

Identification

• Name: 7-Benzylidenenaltrexone
• Synonyms: Morphinan-6-One, 17-(Cyclopropylmethyl)-4,5-Epoxy-3,14-Dihydroxy-7-(Phenylmethylene)-, (5Alpha)-; 7-Benzylidenenaltrexone
• Molecular Formula: C₂₇H₂₇NO₄
• Molecular Weight: 429.51
• CAS Registry Number: 129468-28-6
• SMILES: [C@]135[C@]6(O)[C@H](N(CC1)CC2CC2)CC4=CC=C(O)C(=C34)O[C@H]5C(=O)C(/C6)=C\C7=CC=CC=C7
• InChI: 1S/C27H27NO4/c29-20-9-8-18-13-21-27(31)14-19(12-16-4-2-1-3-5-16)23(30)25-26(27,22(18)24(20)32-25)10-11-28(21)15-17-6-7-17/h1-5,8-9,12,17,21,25,29,31H,6-7,10-11,13-15H2/b19-12-/t21-,25+,26+,27-/m1/s1
• InChIKey: WXOUFNFMPVMGFZ-XEGDMQTMSA-N

Properties

• Density: 1.437g/cm³ (Cal.)
• Boiling point: 661.185°C at 760 mmHg (Cal.)
• Flash point: 353.672°C (Cal.)