Chemical Properties of Neopine (CAS 467-14-1)

Neopine

InChI
InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-4,6,12-13,17,20H,5,7-9H2,1-2H3
InChI Key
NNDKZTBFZTWKLA-UHFFFAOYSA-N
Formula
C18H21NO3
SMILES
COc1ccc2c3c1OC1C(O)CC=C4C(C2)N(C)CCC431
Molecular Weight1
299.36
CAS
467-14-1
Other Names
  • (5«alpha»,6«alpha»)-8,14-didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-ol
  • 8,14-Didehydro-4,5«alpha»-epoxy-3-methoxy-17-methylmorphinan-6«alpha»-ol
  • Morphinan-6-ol, 8,14-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5«alpha»,6«alpha»)-
  • Morphinan-6«alpha»-ol, 8,14-didehydro-4,5«alpha»-epoxy-3-methoxy-17-methyl-
  • Neopin
  • «beta»-Codeine
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Physical Properties

Property Value Unit Source
log10WS -1.43 Relay (1.0) Calculated Property
logPoct/wat 1.645 Crippen Calculated Property
McVol 220.570 ml/mol McGowan Calculated Property
Inp 2395.00 NIST
Tfus 418.69 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

Nalmefene. DIHYDROERGOTAMINE. Strychnine. Dehydrojaconine. ERGOTAMINE. DIHYDROERGOKRYPTINE. 3-O,6-O,N-Triacetylnormorphine. Xanthine riboside, TMS. Diacetylmorphine. 9H-Purine, 9-[2-deoxy-3-O-(trimethylsilyl)-«beta»-D-erythro-pentofuranosyl]-6-(trimethylsiloxy)-2-[(trimethylsilyl)amino]-, 5'-[bis(trimethylsilyl) phospate]. Ergocristine. Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. Benzylmorphine. OXYCOLCHICINE.

Find more compounds similar to Neopine.

Sources

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