Chemical Properties of Octaverine (CAS 549-68-8)

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
397.46
CAS
549-68-8
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
ω 1.0216 Relay (1.0) Calculated Property
ΔfG° -148.87 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -543.42 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 127.18 kJ/mol Relay (1.0) Calculated Property
IE 7.21 eV Relay (1.0) Calculated Property
log10WS -4.92 Relay (1.0) Calculated Property
logPoct/wat 5.115 Crippen Calculated Property
McVol 307.280 ml/mol McGowan Calculated Property
Pc 962.94 kPa Relay (1.0-beta) Calculated Property
Tboil 756.76 K Relay (1.0) Calculated Property
Tc 1013.03 K Relay (1.0) Calculated Property
Tfus 398.67 K Relay (1.0) Calculated Property
Vc 1.150 m3/kmol Relay (1.0) Calculated Property

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. Morphinan-6-ol, 4,5-epoxy-3-methoxy-17-methyl-, (5«alpha»,6«alpha»)-. Ibogaine. Hypoxanthine-7-ethanol, 2,3-dihydro-3-(diphenylmethyl)-, acetate. Hydrocodone. Thymidine, 3'-O-acetyl, 5'-O-TBDMS. Hydromorphone. 1H-Indole-3-ethanol, 2-(5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)-, [1S-(1«alpha»,2«alpha»,4«alpha»,5«beta»)]-. Acetyldihydrocodeine. Dihydromorphine. Yohimbine.

Find more compounds similar to Octaverine.

Sources

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