Acetylmethadol
[CAS 509-74-0]

Identification

• Name: Acetylmethadol
• Synonyms: [4-Dimethylamino-1-Ethyl-2,2-Di(Phenyl)Pentyl] Acetate; Acetic Acid [4-Dimethylamino-1-Ethyl-2,2-Di(Phenyl)Pentyl] Ester; [6-Dimethylamino-4,4-Di(Phenyl)Heptan-3-Yl] Ethanoate
• Molecular Formula: C₂₃H₃₁NO₂
• Molecular Weight: 353.50
• CAS Registry Number: 509-74-0
• EINECS: 208-103-4
• SMILES: C2=C(C(C1=CC=CC=C1)(C(OC(=O)C)CC)CC(N(C)C)C)C=CC=C2
• InChI: 1S/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3
• InChIKey: XBMIVRRWGCYBTQ-UHFFFAOYSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 456.0±45.0°C at 760 mmHg (Cal.)
• Flash point: 130.0±19.6°C (Cal.)

Safety Data

• Controlled Substance: DEA Drug Code Number: 9601

References

• (1): Sean Ekins, Konstantin V. Balakin, Nikolay Savchuk, and Yan Ivanenkov. Insights for Human Ether-a-Go-Go-Related Gene Potassium Channel Inhibition Using Recursive Partitioning and Kohonen and Sammon Mapping Techniques, J. Med. Chem. 2006, 49(17), 5059-5071.