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
  • NSC123398
  • Rcra waste number P018
  • Strychnidin-10-one, 2,3-dimethoxy-
  • Strychnine, 2,3-dimethoxy-
  • UN 1570

Physical Properties

Property Value Unit Source
Δcsolid -12270.00 kJ/mol NIST
Δfsolid -496.20 kJ/mol NIST
log10WS -2.09 Aq. Sol...
logPoct/wat 2.110 Crippen Calculated Property
McVol 280.850 ml/mol McGowan Calculated Property
Inp [3310.00; 3310.00]   Show Hide
Inp 3310.00 NIST
Inp 3310.00 NIST

Similar Compounds

Nalmefene. Strychnine. 3-O,6-O,N-Triacetylnormorphine. Benzylmorphine. Nicocodine. Buprenorphine. Dihydroergokryptine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine.

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