(4aS,7aR)-3,4,6,7,7a,8-Hexahydro-12-Hydroxy-11-Methoxy-7-Methyldibenz[d,f]Indol-2(5H)-One
[CAS 510-66-7]

Identification

• Name: (4aS,7aR)-3,4,6,7,7a,8-Hexahydro-12-Hydroxy-11-Methoxy-7-Methyldibenz[d,f]Indol-2(5H)-One
• Synonyms: Metathebainone; Metathebainon; Nsc404355
• Molecular Formula: C₁₈H₂₁NO₃
• Molecular Weight: 299.37
• CAS Registry Number: 510-66-7
• SMILES: C1=C(OC)C(=C3C(=C1)CC2N(CCC24CCC(C=C34)=O)C)O
• InChI: 1S/C18H21NO3/c1-19-8-7-18-6-5-12(20)10-13(18)16-11(9-15(18)19)3-4-14(22-2)17(16)21/h3-4,10,15,21H,5-9H2,1-2H3
• InChIKey: DVKQWZBRBGLGDK-UHFFFAOYSA-N

Properties

• Density: 1.3g/cm³ (Cal.)
• Boiling point: 490.923°C at 760 mmHg (Cal.)
• Flash point: 250.701°C (Cal.)