Anodyne| Brucine | |
|---|---|
 |
| Salts [] | |
|---|---|
| Brucine sulfate | |
|
| Molecular structure via molpic | |
| Conformer structure via 3Dmol.js | |
| Molecular formula | C23H26N2O4[1] |
|---|---|
| Molecular mass | 394.5 g/mol[1] |
| Density | greater than 1 at 68 °F (USCG, 1999) g/cm3[1] |
| Appearance | Needles from acetone + water[1] |
| Odor | Odorless[1] |
| Taste | Very bitter taste[1] |
| Predicted LogP | 1[1] |
| Melting point | 352 °[1] |
| Boiling point | 470 °C[1] |
| Decomposition | When heated to decomposition it emits toxic fumes of nitroxides.[1] |
| Solubility | Crystals. Sol in water or alcohol. The solns are neutral or slightly acid. /Hydrochloride/[1] |
| Chirality | absolute[2] |
| Identifiers [] | |
|---|---|
| IUPAC name | (4aR,5aS,8aR,13aS,15aS,15bR)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one[1] |
| SMILES | COC1=C(C=C2C(=C1)[C@]34CCN5[C@H]3C[C@@H]6[C@@H]7[C@@H]4N2C(=O)C[C@@H]7OCC=C6C5)OC[1] |
| InChI | InChI=1S/C23H26N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3/t13-,18-,19-,21-,22-,23+/m0/s1[1] |
| InChIKey | RRKTZKIUPZVBMF-IBTVXLQLSA-N[1] |
| Dosing |
|---|
Brucine
Brucine (also known as 10,11-Dimethoxystrychnine, Brucinum, 2,3-Dimethoxystrychnine, (-)-Brucine, l-Brucine, 2,3-Dimethoxystrychnidin-10-one, Strychnidin-10-one, 2,3-dimethoxy-, 10,11-Dimethystrychnine, Brucina or Brucin)
Chemistry
Brucine is typically found in the form of its sulfate salt.
Stereochemistry
Brucine is a absolute mixture