Mesembrine (data page)

The complete data for Mesembrine
	General information Chemical formula: C17H23NO3  Molar mass: 289.37 i g·mol-1 Systematic name: (3aS,7aR)-3a-(3,4-dimethoxyphenyl)-1-methyl-2,3,4,5,7,7a-hexahydroindol- 6-one a Synonyms: 3a-(3,4-dimethoxyphenyl)octahydro-1-methyl-6H-indol-6-one
Database data
SMILES: CN1CC[C@@]2([C@H]1CC(=O)CC2)C3=CC(=C(C=C3)OC)OC b InChI=1/C17H23NO3/c1-18-9-8-17(7-6-13(19)11-16(17)18)12-4-5-14(20-2)15(10-12)21-3/h4-5,10,16H,6-9,11H2,1-3H3/t16-,17-/m1/s1 c  ATC: N/A  CAS: 468-53-1  DrugBank: N/A  EINECS: N/A  PubChem: 193296 d
Physical properties
Structure Crystal data Spectral data UV-Vis IR NMR MS Phase behavior Solid properties Liquid properties Gas properties
Hazard properties
MSDS N/A Main hazards: - N/A NFPA 704 0 0 0 Flash point - N/A R/S statement R: N/A S: N/A RTECS number: N/A
Chemical properties
XLogP: 1.1 e pI: pKa: Tautomers: 3 f Hydrogen bond: donor - 0 g;  acceptor - 4 h
Pharmacological properties
Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa)

References

1. ^a , ^b , ^c , ^d , ^e , ^f , ^g , ^h , ^i CID 193296 from PubChem