14B-(P-Chlorocinnamoylamino)-7,8-Dihydro-N-Cyclopropylmethylmorphinone Mesylate
[CAS# 117332-69-1]

Identification

• Name: 14B-(P-Chlorocinnamoylamino)-7,8-Dihydro-N-Cyclopropylmethylmorphinone Mesylate
• Synonyms: 2-Propenamide, 3-(4-Chlorophenyl)-N-((5Alpha)-17-(Cyclopropylmethyl)-4,5-Epoxy-3-Hydroxy-6-Oxomorphinan-14-Yl)-, Monomethanesulfonate; Methoclocinnamox; Clocinnamox
• Molecular Formula: C₃₀H₃₃ClN₂O₇S
• Molecular Weight: 601.11
• CAS Registry Number: 117332-69-1
• SMILES: [C@]246[C@]7(NC(=O)\C=C\C1=CC=C(Cl)C=C1)[C@H](N(CC2)CC3CC3)CC5=CC=C(O)C(=C45)O[C@H]6C(=O)CC7.C[S](=O)(=O)O
• InChI: 1S/C29H29ClN2O4.CH4O3S/c30-20-7-3-17(4-8-20)5-10-24(35)31-29-12-11-22(34)27-28(29)13-14-32(16-18-1-2-18)23(29)15-19-6-9-21(33)26(36-27)25(19)28;1-5(2,3)4/h3-10,18,23,27,33H,1-2,11-16H2,(H,31,35);1H3,(H,2,3,4)/b10-5+;/t23-,27+,28+,29-;/m1./s1
• InChIKey: XAXNKAGAUFXFDO-JVJDXIHNSA-N

Properties

• Boiling point: 753.4°C at 760 mmHg (Cal.)
• Flash point: 409.4°C (Cal.)