BRUCINE DIHYDRATE

Inquiry

For Research Use Only.

Category

Alkaloids

Cat.No.

NP0423

CAS

145428-94-0

Product Name

BRUCINE DIHYDRATE

Structure

Product Details

Synonyms

10,11-DIMETHOXYSTRYCHNINE DIHYDRATE; 2,3-DIMETHOXYSTRYCHNIDIN-10-ONE DIHYDRATE; BRUCINE N-HYDRATE; BRUCINE DIHYDRATE; Strychnidin-10-one, 2,3-dimethoxy-, dihydrate; Brucine dihydrate,99%

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

430.50

Molecular Formula

C23H26N2O4.2H2O

Canonical SMILES

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

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

InChIKey

RRKTZKIUPZVBMF-IBTVXLQLSA-N

Melting Point

174°C

Purity

>99.0%(T)

Density

g/cm3

Appearance

Solid

Storage

Poison room