3,6-dimethoxy-17-methyl-6,7,8,14-tetradehydro-4,5alpha-epoxymorphinan
[CAS# 115-37-7]

Identification

• Classification: Biochemical >> Chinese herbal medicine ingredients
• Name: 3,6-dimethoxy-17-methyl-6,7,8,14-tetradehydro-4,5alpha-epoxymorphinan
• Synonyms: Inchi=1/C19h21no3/C1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/H4-7,13,18H,8-10H2,1-3H; Morphinan, 6,7,8,14-Tetradehydro-4,5-Epoxy-3,6-Dimethoxy-17-Methyl-; Stock1n-54066
• Molecular Formula: C₁₉H₂₁NO₃
• Molecular Weight: 311.38
• CAS Registry Number: 115-37-7
• EINECS: 204-084-1
• SMILES: [C@@]125C3=C4C[C@H](C1=CC=C([C@@H]2OC3=C(C=C4)OC)OC)N(C)CC5
• InChI: 1S/C19H21NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,13,18H,8-10H2,1-3H3/t13-,18+,19+/m1/s1
• InChIKey: FQXXSQDCDRQNQE-VMDGZTHMSA-N

Properties

• Desity: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 467.6±45.0°C at 760 mmHg (Cal.)
• Flash point: 141.1±25.9°C (Cal.)

Safety Data

• Controlled Substance: DEA Drug Code Number: 9333

References

• (1): C. H. Mahler, E. D. Stevens, M. L. Trudell and S. P. Nolan. (-)-Thebaine, Acta Cryst. (1996). C52, 3193-3195