Chemical Properties of Thebaine (CAS 115-37-7)

Thebaine

InChI
InChI=1S/C19H21NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,13,18H,8-10H2,1-3H3
InChI Key
FQXXSQDCDRQNQE-UHFFFAOYSA-N
Formula
C19H21NO3
SMILES
COC1=CC=C2C3Cc4ccc(OC)c5c4C2(CCN3C)C1O5
Molecular Weight1
311.37
CAS
115-37-7
Other Names
  • Morphinan, 6,7,8,14-tetradehydro-4,5-epoxy-3,6-dimethoxy-17-methyl-, (5«alpha»)-
  • Morphinan, 6,7,8,14-tetradehydro-4,5«alpha»-epoxy-3,6-dimethoxy-17-methyl-
  • Paramorphine
  • Tebain
  • Thebain
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Physical Properties

Property Value Unit Source
log10WS -2.16 Relay (1.0) Calculated Property
logPoct/wat 2.425 Crippen Calculated Property
McVol 230.360 ml/mol McGowan Calculated Property
Inp [2485.00; 2559.00]   Show Hide
Inp 2492.00 NIST
Inp 2559.00 NIST
Inp 2555.00 NIST
Inp 2558.00 NIST
Inp 2522.00 NIST
Inp 2550.00 NIST
Inp 2520.00 NIST
Inp 2525.00 NIST
Inp 2492.00 NIST
Inp 2485.00 NIST
Inp 2505.00 NIST
Inp 2492.00 NIST
Inp 2525.00 NIST
Inp 2517.00 NIST
Tfus 398.75 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 Thebaine.

Sources

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