- InChI
- InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3
- InChI Key
- BRUQQQPBMZOVGD-UHFFFAOYSA-N
- Formula
- C18H21NO4
- SMILES
-
COc1ccc2c3c1OC1C(=O)CCC4(O)C(C
2)N(C)CCC314 - Molecular Weight1
- 315.36
- CAS
- 76-42-6
- Other Names
-
- Oxycontin
- Morphinan-6-one, 4,5-epoxy-14-hydroxy-3-methoxy-17-methyl-, (5«alpha»)-
- Morphinan-6-one, 4,5«alpha»-epoxy-14-hydroxy-3-methoxy-17-methyl-
- Codeinone, dihydro-14-hydroxy-
- Dihydro-14-hydroxycodeinone
- Dihydrohydroxycodeinone
- Dihydrone
- Diphydrone
- Oxicon
- Oxycodeinone
- 14-Hydroxydihydrocodeinone
- Codeinone, dihydrohydroxy-
- Codeinone, 7,8-dihydro-14-hydroxy-
- Dihydroxycodeinone
- Eucodalum
- Oxycodon
- Percobarb
- Percodan
- Tekodin (free base)
- 4,5«alpha»-Epoxy-14-hydroxy-3-methoxy-17-methylmorphinan-6-one
- 4aH-8,9c-Iminoethanophenanthro(4,5-bcd)furan-5(6H)-one, 7,7a,8,9-tetrahydro-7a-hydroxy-3-methoxy-12-methyl-
- Oxicone
- (-)-14-Hydroxydihydrocodeinone
- NSC 19043
- Dihydrohydroxycondeinone
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.7298 | Relay (1.0) Calculated Property | |
| ΔfG° | -172.21 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -404.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 121.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.048 | Crippen Calculated Property | |
| McVol | 226.440 | ml/mol | McGowan Calculated Property |
| Pc | 1789.05 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2483.00; 2524.00] |
|
|
| Inp | 2483.00 | NIST | |
| Inp | 2485.00 | NIST | |
| Inp | 2524.00 | NIST | |
| Inp | 2485.00 | NIST | |
| Tboil | 653.15 | K | Relay (1.0) Calculated Property |
| Tc | 992.13 | K | Relay (1.0) Calculated Property |
| Tfus | 451.69 | K | Relay (1.0) Calculated Property |
| Vc | 0.860 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Oxycodone.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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