Chemical Properties of Ajmaline (CAS 4360-12-7)

Ajmaline

InChI
InChI=1S/C20H26N2O2/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3/t10?,11?,14?,15?,16?,17?,18-,19+,20?/m1/s1
InChI Key
CJDRUOGAGYHKKD-UDPQVXKSSA-N
Formula
C20H26N2O2
SMILES
CCC1C2CC3C4N(C)c5ccccc5C45CC(C2C5O)N3C1O
Molecular Weight1
326.43
CAS
4360-12-7
Other Names
  • (+)-Ajmaline
  • 5H-6,10:11,12a-Dimethanoindolo[3,2-b]quinolizine, ajmalan-17,21-diol deriv.
  • Ajmalan-17,21-diol, (17R,21.alpha.)-
  • Ajmalan-17,21-diol, (17R,21«alpha»)-
  • Ajmalan-17,21-diol, (17R,21«alpha»)-
  • Ajmalin
  • Aritmina
  • Cardiorythmine
  • Cartagine
  • Gilurytmal
  • Ignazin
  • Merabitol
  • NSC 15627
  • Raugalline
  • Rauwolfin
  • Rauwolfine
  • Rhytmaton
  • Ritmos
  • Rytmalin
  • Siddiqui
  • Tachmalin
  • Tajmalin
  • Takhmalin
  • Takycor
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Physical Properties

Property Value Unit Source
ω 0.7041 Relay (1.0) Calculated Property
ΔfG° 181.81 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -110.93 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 151.99 kJ/mol Relay (1.0) Calculated Property
IE 7.25 eV Relay (1.0) Calculated Property
log10WS -2.82 Aq. Solubility Prediction
logPoct/wat 1.555 Crippen Calculated Property
McVol 246.300 ml/mol McGowan Calculated Property
Pc 1472.17 kPa Relay (1.0-beta) Calculated Property
Tboil 651.24 K Relay (1.0) Calculated Property
Tc 1049.63 K Relay (1.0) Calculated Property
Tfus 485.44 K Relay (1.0) Calculated Property
Vc 0.963 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Codeine-propionyl. Nalmefene. Normorphine, N-trimethylsilyl-, bis(trimethylsilyl) ether. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. Strychnine. Normorphine TMS. acetylepibaptifoline. Neopine. Galantamin. Deserpidine. [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»)-. Dihydroergokryptine. 3-O,6-O,N-Triacetylnormorphine. Thymidine, 3'-O-acetyl, 5'-O-cyclotetramethylene-tertbutylsilyl. Xanthine riboside, TMS.

Find more compounds similar to Ajmaline.

Sources

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