399027

Brucine

anhydrous, 98%

• Synonym(s): 10,11-Dimethoxystrychnine, 2,3-Dimethoxystrychnidin-10-one
• Empirical Formula (Hill Notation): C₂₃H₂₆N₂O₄
• CAS Number: 357-57-3
• Molecular Weight: 394.46
• Beilstein/REAXYS Number: 63046
• EC Number: 206-614-7
• MDL number: MFCD00005942
• UNSPSC Code: 12352210
• PubChem Substance ID: 24864782
• NACRES: NA.22

Properties

• grade: anhydrous
• Quality Level: 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.

Safety Information

• 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_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges