Mesembrine (data page)

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The complete data for Mesembrine

Image:Hight_setter_449px.gifMesembrine		 General information

Chemical formula: C17H23NO3 
Molar mass: 289.37 [1] g·mol-1
Systematic name:
(3aS,7aR)-3a-(3,4-dimethoxyphenyl)-1-methyl-2,3,4,5,7,7a-hexahydroindol-
6-one [1]
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 [1]
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 [1]
 ATC: N/A  CAS: 468-53-1  DrugBank: N/A  EINECS: N/A  PubChem: 193296 [1]
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
 Flash point
- N/A
 R/S statement
R: N/A
S: N/A
 RTECS number:
N/A
Chemical properties
XLogP: 1.1 [1] pI: ? pKa: ? Tautomers: 3 [1] Hydrogen bond: donor - 0 [1];   acceptor - 4 [1];
Pharmacological properties
Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa)


[edit] References

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