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B0253 Sigma-Aldrich

Brucine

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

  • CAS Number 357-57-3

  • Empirical Formula (Hill Notation) C23H26N2O4

  • Molecular Weight 394.46

  •  Beilstein/REAXYS Number 63046

  •  EC Number 206-614-7

  •  MDL number MFCD00005942

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Properties

mp   175-178 °C (dec.) (lit.)
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
Safety & Documentation

Safety Information

Symbol 
GHS06  GHS06
Signal word 
Danger
Hazard statements 
Precautionary statements 
RIDADR 
UN 1570 6.1 / PGI
WGK Germany 
3
RTECS 
EH8925000

Documents

Certificate of Analysis (COA)

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Protocols & Articles
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Description

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399027 Brucine, anhydrous, 98%

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