Chemical Properties of Metopon (CAS 143-52-2)

Metopon

InChI
InChI=1S/C18H21NO3/c1-17-14(21)6-4-11-12-9-10-3-5-13(20)16(22-17)15(10)18(11,17)7-8-19(12)2/h3,5,11-12,20H,4,6-9H2,1-2H3
InChI Key
NPZXCTIHHUUEEJ-UHFFFAOYSA-N
Formula
C18H21NO3
SMILES
CN1CCC23c4c5ccc(O)c4OC2(C)C(=O)CCC3C1C5
Molecular Weight1
299.36
CAS
143-52-2
Other Names
  • Morphinan-6-one, 4,5-«alpha»-epoxy-3-hydroxy-5,17-dimethyl-
  • Dihydro-5-methylmorphinone
  • 4,5-«alpha»-Epoxy-3-hydroxy-5,17-diethylmorphinan-6-one
  • Methyldihydromorphinone
  • 5-Methyldihydromorphinone
  • Morphinone, dihydro-5-methyl-
  • Morphinone, methyldihydro-
  • (5«alpha»)-4,5-Epoxy-3-hydroxy-5,17-dimethylmorphinan-6-one
  • Morphinan-6-one, 4,5-epoxy-3-hydroxy-5,17-dimethyl-, (5«alpha»)-
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Physical Properties

Property Value Unit Source
IE 7.52 eV Relay (1.0) Calculated Property
log10WS -2.06 Relay (1.0) Calculated Property
logPoct/wat 2.020 Crippen Calculated Property
McVol 220.570 ml/mol McGowan Calculated Property
Inp [2380.00; 2459.00]   Show Hide
Inp 2380.00 NIST
Inp 2459.00 NIST
Inp 2380.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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 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

Retroisosenine. Retroisosensine. ethyl eburnamenine-14-carboxylate. AJMALINE, M(NOR-), AC. Prajmaline. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. Morphinan, 7,8-didehydro-4,5-epoxy-17-methyl-3,6-bis[(trimethylsilyl)oxy]-, (5«alpha»,6«alpha»)-. Benzylmorphine. ERGOTAMINE. [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»)-. Jaconine. Ethylmorphine, trimethylsilyl ether. Hydromorphone, tert-butyldimethylsilyl ether. Nicocodine. Brucine.

Find more compounds similar to Metopon.

Sources

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