Brucine, anhydrous, 98%

Name: Brucine, anhydrous, 98%
Brand: SIGMA-ALDRICH
SKU: 399027-5G
Price: 55.84 EUR

Code: 399027-5G D2-231

Application

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

General description

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OVERVIEW

SPECIFICATIONS

DOCUMENTS

ATTRIBUTES

Application
Brucine may be used as chiral resolving agent for the optical resolution of tertiary acetylenic alcohols into enantiomers.
General description
Brucine is the major active pharmacological component of Strychnos nux-vomica seeds, which is known for its anti-inflammatory and analgesic activities.
Packaging
5, 25 g in glass bottle

assay 98%
grade anhydrous
InChI key RRKTZKIUPZVBMF-IBTVXLQLSA-N
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
mp 175-178 °C (dec.) (lit.)
optical activity [α]20/D −118°, c = 2.5 in chloroform
Quality Level 200
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]

Safety Data Sheet
Safety Data Sheet for 399027-5G

Code

Description

Unit Size

List Price

Qty

Cas Number 357-57-3
Hazard Class 6.1
Un Number 1570
Pack Group I

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Brucine, anhydrous, 98%

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assay	98%
grade	anhydrous
InChI key	RRKTZKIUPZVBMF-IBTVXLQLSA-N
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
mp	175-178 °C (dec.) (lit.)
optical activity	[α]20/D −118°, c = 2.5 in chloroform
Quality Level	200
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]