(5R,6S)-1-Chloro-7,8-Didehydro-4,5-Epoxy-17-Methyl-Morphinan-3,6-Diol
[CAS# 63690-31-3]

Identification

• Name: (5R,6S)-1-Chloro-7,8-Didehydro-4,5-Epoxy-17-Methyl-Morphinan-3,6-Diol
• Synonyms: Codeine, Chloro-; Morphinan-3,6-Alpha-Diol, 1-Chloro-7,8-Didehydro-4,5-Alpha-Epoxy-17-Methyl-
• Molecular Formula: C₁₇H₁₈ClNO₃
• Molecular Weight: 319.79
• CAS Registry Number: 63690-31-3
• SMILES: [C@@H]15CC4=C3[C@@]2([C@H]1C=C[C@@H]([C@@H]2OC3=C(C=C4Cl)O)O)CCN5C
• InChI: 1S/C17H18ClNO3/c1-19-5-4-17-9-2-3-12(20)16(17)22-15-13(21)7-10(18)8(14(15)17)6-11(9)19/h2-3,7,9,11-12,16,20-21H,4-6H2,1H3/t9-,11+,12-,16-,17-/m0/s1
• InChIKey: YMUDSVAZEVOKAP-GLWLLPOHSA-N

Properties

• Density: 1.533g/cm³ (Cal.)
• Boiling point: 504.746°C at 760 mmHg (Cal.)
• Flash point: 259.061°C (Cal.)