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18800

Brucine

purum, ≥97.0% (TLC)

Synonym(s):

10,11-Dimethoxystrychnine, 2,3-Dimethoxystrychnidin-10-one

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About This Item

Empirical Formula (Hill Notation):
C23H26N2O4
CAS Number:
357-57-3
Molecular Weight:
394.46
EC Number:
206-614-7
UNSPSC Code:
12352000
MDL number:
MFCD00005942
Beilstein/REAXYS Number:
63046
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grade

purum

assay

≥97.0% (TLC)

optical activity

[α]20/D −120±10°, c = 2.5% in chloroform

impurities

~3% water

mp

175-178 °C (dec.) (lit.), 176-179 °C

SMILES string

[H][C@@]12CC(=O)N3c4cc(OC)c(OC)cc4[C@]56CC[N@H]7CC(=CCO1)[C@]([H])(C[C@@H]57)[C@]2([H])[C@]36[H]

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

InChI key

RRKTZKIUPZVBMF-IBTVXLQLSA-N

Application

Resolving agent for carboxylic acids

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pictograms

Skull and crossbones
GHS06

signalword

Danger

Hazard Classifications

Acute Tox. 1 Oral - Acute Tox. 2 Inhalation - Aquatic Chronic 3

Storage Class

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges

Regulatory Information

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Xueguo Chen et al.
Journal of analytical toxicology, 36(3), 171-176 (2012-03-16)
A liquid chromatography-electrospray ionization-ion trap mass spectrometry (LC-ESI-ITMS) method was developed for the simultaneous analysis of strychnine, brucine and their major metabolites. Strychnine and brucine were individually incubated with rat liver S9 fraction. The incubation samples were pooled together and
Bai-Can Yang et al.
International journal of nanomedicine, 6, 1109-1116 (2011-06-24)
To evaluate the pharmacokinetics and tissue distribution of liposomal brucine (LB) for dermal application. Pharmacokinetics and tissue distribution were studied by in vivo animal testing. High performance liquid chromatography (HPLC) was used to detect the concentration of brucine in rats'
Jun Chen et al.
Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan, 131(5), 721-729 (2011-05-03)
A simple and low-cost HPLC method with UV absorbance detection was developed and validated to simultaneously determine strychnine and brucine, the most abundant alkaloids in the processed Semen Strychni, in rat tissues (kidney, liver, spleen, lung, heart, stomach, small intestine
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