Chemical Properties of Brucine (CAS 357-57-3)

Brucine

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InChI
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
InChI Key
RRKTZKIUPZVBMF-UHFFFAOYSA-N
Formula
C23H26N2O4
SMILES
COc1cc2c(cc1OC)C13CCN4CC5=CCOC6CC(=O)N2C1C6C5CC43
Molecular Weight1
394.46
CAS
357-57-3
Other Names
  • (-)-Brucine
  • 10,11-Dimethoxystrychnine
  • 10,11-Dimethystrychnine
  • 2,3-Dimethoxy-strychnine
  • 2,3-Dimethoxystrychnidine-10-one
  • Brucin
  • Brucina
  • Brucine alkaloid
  • Dimethoxy strychnine
  • Rcra waste number P018
  • Strychnidin-10-one, 2,3-dimethoxy-
  • Strychnine, 2,3-dimethoxy-
  • UN 1570
Sources

Physical Properties

Property Value Unit Source
Δcsolid -12270.00 kJ/mol NIST
Δfsolid -496.20 kJ/mol NIST
logPoct/wat 2.11 Crippen Calculated Property

Similar Compounds

Strychnine. Cyanocobalamin. Chlortetracycline hydrochloride. Ergocristin. Thebaine. AJMALINE, M(NOR-), AC. Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'«alpha»)-. Nalmefene, bis(trifluoroacetate). 3-O,6-O,N-Triacetylnormorphine. Octaethyl-porphyrin, Si-(OTBDMS)2-derivative. Heptafluorobutyryl-codeine. ERGOTAMINE. AJMALINE, M(HO-), AC. Tetracycline hydrochloride. 6-O,N-Diacetylnorcodeine.

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