Brucine

Molecular structure via molpic based on CDK

Conformer []

Conformer structure via JSmol

Physical properties []
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]
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]
Predicted LogP	1 ^[1]

Structural Identifiers []
Molecular formula	C₂₃H₂₆N₂O₄ ^[1]
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]

Brucine

Brucine (also known as 10,11-Dimethoxystrychnine, Brucinum, 2,3-Dimethoxystrychnine, l-Brucine, 2,3-Dimethoxystrychnidin-10-one, Strychnidin-10-one, 2,3-dimethoxy-, 10,11-Dimethystrychnine, Brucina, Brucin or Brucine alkaloid)

Chemistry

Salts []

Brucine is typically found in the form of its sulfate salt.

Stereochemistry []

Brucine is a absolute mixture

External links []

References []

National Center for Biotechnology Information. PubChem Compound Summary for CID 442021, Brucine. Accessed July 3, 2025. https://pubchem.ncbi.nlm.nih.gov/compound/442021
U.S. Food and Drug Administration; National Center for Advancing Translational Sciences. Brucine. UNII: 6NG17YCK6H. Global Substance Registration System. Accessed July 3, 2025. https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6NG17YCK6H

Anodyne