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399027

Brucine

Name: Brucine
Brand: ALDRICH

anhydrous, 98%

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

UNSPSC Code:

12352210

NACRES:

NA.22

PubChem Substance ID:

24864782

EC Number:

206-614-7

Beilstein/REAXYS Number:

63046

MDL number:

MFCD00005942

Assay:

98%

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Properties

grade

anhydrous

Quality Segment

200

assay

98%

optical activity

[α]20/D −118°, c = 2.5 in chloroform

mp

175-178 °C (dec.) (lit.)

functional group

ether

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

Description

General description

Brucine is the major active pharmacological component of Strychnos nux-vomica seeds, which is known for its anti-inflammatory and analgesic activities.

Application

Brucine may be used as chiral resolving agent for the optical resolution of tertiary acetylenic alcohols into enantiomers.

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pictograms

GHS06

signalword

Danger

hcodes

H300 + H330,H412

pcodes

P260 - P264 - P271 - P273 - P284 - P304 + P340 + P310

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