Chemical Properties of OCTAVERINE

OCTAVERINE

InChI
InChI=1S/C23H27NO5/c1-6-27-20-12-16(13-21(28-7-2)23(20)29-8-3)22-17-14-19(26-5)18(25-4)11-15(17)9-10-24-22/h9-14H,6-8H2,1-5H3
InChI Key
NGIFHAUKQGDVSR-UHFFFAOYSA-N
Formula
C23H27NO5
SMILES
CCOc1cc(-c2nccc3cc(OC)c(OC)cc23)cc(OCC)c1OCC
Molecular Weight1
397.47
Other Names
  • Isoquinoline, 6,7-dimethoxy-1-(3,4,5-triethoxyphenyl)-
  • 6,7-Dimethoxy-1-(3,4,5-triethoxyphenyl)isoquinoline
  • Oktaverine
  • Octaverinum
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Physical Properties

Property Value Unit Source
log10WS -4.92 Relay (1.0) Calculated Property
logPoct/wat 5.115 Crippen Calculated Property
McVol 307.280 ml/mol McGowan Calculated Property
Tfus 398.67 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

tubercidin. 12-O-Methylcarnosol. 10-Methoxy-14-methyl-5-oxo-5,7,8,14-tetrahydro-indolo-[2,3-c]-quinazo-[3,2,a]-pyridine. Venlafaxine-M (O-desmethyl-HO-) isomer-1 2AC. 11-nor-D9-Tetrahydrocannabinol-9-carboxylic acid. Methyldihydromorphine. Adenosine, N-(trimethylsilyl)-2',3'-bis-O-(trimethylsilyl)-, 5'-[bis(trimethylsilyl) phosphate]. Hydrocodone. 1H-Indole-3-ethanol, 2-(5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)-, [1S-(1«alpha»,2«alpha»,4«alpha»,5«beta»)]-. Morphinan-6-ol, 4,5-epoxy-3-methoxy-17-methyl-, (5«alpha»,6«alpha»)-. Hypoxanthine-7-ethanol, 2,3-dihydro-3-(diphenylmethyl)-, acetate. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 1. risperidone. Yohimbine. Hydromorphone.

Find more compounds similar to OCTAVERINE.

Sources

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