BRUCINE

Inquiry

For Research Use Only.

Category

Alkaloids

Cat.No.

NP0370

CAS

5892-11-5

Product Name

BRUCINE

Structure

Product Details

Synonyms

STRYCHNIDIN-10-ONE,2,3-DIMETHOXY; 2,3-DIMETHOXYSTRYCHNIDIN-10-ONE; BRUCINE TETRAHYDRATE; BRUCINE ALKALOID; BRUCINE HYDRATE, TECH.; Strychnidin-10-one, 2,3-dimethoxy-, tetrahydrate; BURCINETETRAHYDRATE

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

Molecular Weight

394.46

Molecular Formula

C23H26N2O4

Canonical SMILES

COC1=C(C=C2C(=C1)C34CCN5C3CC6C7C4N2C(=O)CC7OCC=C6C5)OC

InChI

1/C24H27NO4.2H2O/c1-27-17-7-14-15(9-18(17)28-2)24-4-5-25-11-12-3-6-29-19-10-16(26)21(14)23(24)22(19)13(12)8-20(24)25;;/h3,7,9,13,19-23H,4-6,8,10-11H2,1-2H3;2*1H2/t13?,19-,20?,21?,22-,23-,24+;;/m0../s1

InChIKey

VWLBJWIPYIYRBM-FIMIILAWSA-N

Boiling Point

689.9°C at 760 mmHg

Melting Point

175-178 °C (dec.)(lit.)

Flash Point

371°C

Purity

0.99

Density

g/cm3