- InChI
- InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2
- InChI Key
- DQCKKXVULJGBQN-UHFFFAOYSA-N
- Formula
- C20H23NO4
- SMILES
-
O=C1CCC2(O)C3Cc4ccc(O)c5c4C2(C
CN3CC2CC2)C1O5 - Molecular Weight1
- 341.40
- CAS
- 16590-41-3
- Other Names
-
- Morphinan-6-one, 17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxy-, (5«alpha»)-
- Morphinan-6-one, 17-(cyclopropylmethyl)-4,5-«alpha»-epoxy-3,14-dihydroxy-
- 17-(Cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-one
- N-Cyclopropylmethyl-14-hydroxydihydromorphinone
- N-Cyclopropylmethylnoroxymorphone
- EN 1639
- EN 1939
- UM-792
- 17-(Cyclopropylmethyl)-4,5«alpha»-epoxy-3,14-dihydroxymorphinan-6-one
- ReVia
- Vivitrex
- Vivitrol
- 17-(Cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxy-morphinan-6-one (naltrexone)
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- 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 | 0.8410 | Relay (1.0) Calculated Property | |
| ΔfG° | -170.57 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -463.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 141.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.525 | Crippen Calculated Property | |
| McVol | 243.760 | ml/mol | McGowan Calculated Property |
| Pc | 1867.13 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 664.74 | K | Relay (1.0) Calculated Property |
| Tc | 1067.47 | K | Relay (1.0) Calculated Property |
| Tfus | 472.42 | K | Relay (1.0) Calculated Property |
| Vc | 0.954 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | [14.80; 15.64] | kJ/mol | [448.20; 448.90] | 
|
| ΔfusH | 15.64 | kJ/mol | 448.20 | NIST |
| ΔfusH | 14.80 | kJ/mol | 448.90 | NIST |
Similar Compounds
Find more compounds similar to Naltrexone.
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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