- InChI
- InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2
- InChI Key
- UZHSEJADLWPNLE-UHFFFAOYSA-N
- Formula
- C19H21NO4
- SMILES
-
C=CCN1CCC23c4c5ccc(O)c4OC2C(=O
)CCC3(O)C1C5 - Molecular Weight1
- 327.37
- CAS
- 465-65-6
- Other Names
-
- (-)-Naloxone
- l-Naloxone
- N-Allylnoroxymorphone
- EN 1530 base
- Morphinan-6-one, 17-allyl-4,5«alpha»-epoxy-3,14-dihydroxy-
- Morphinan-6-one, 4,5«alpha»-epoxy-3,14-dihydroxy-17-(2-propenyl)-
- Normorphinone, N-allyl-dihydro-14-hydroxy-
- 4aH-8,9c-Iminoethanophenanthro(4,5-bcd)furan-5(6H)-one, N-allyl-7,7a,8,9-tetrahydro-3,7a-dihydroxy-
- l-N-Allyl-7,8-dihydro-14-hydroxynormorphinone
- 17-Allyl-4,5-«alpha»-epoxy-3,14-dihydroxymorphinan-6-one
- l-N-Allyl-14-hydroxynordihydromorphinone
- 12-Allyl-7,7a,8,9-tetrahydro-3,7a-dihydroxy-4aH-8,9c-iminoethanophenanthro(4,5-bcd)furan-5-one
- Normorphinone, N-allyl-7,8-dihydro-14-hydroxy-, (-)-
- Naloxone
- Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propen-1-yl)-, (5«alpha»)-
- NSC 70413
- 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 | 0.7761 | Relay (1.0) Calculated Property | |
| ΔfG° | -131.55 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -370.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 134.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.301 | Crippen Calculated Property | |
| McVol | 236.230 | ml/mol | McGowan Calculated Property |
| Pc | 2055.11 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2794.40 | NIST | |
| Tboil | 670.21 | K | Relay (1.0) Calculated Property |
| Tc | 1031.71 | K | Relay (1.0) Calculated Property |
| Tfus | 434.76 | K | Relay (1.0) Calculated Property |
| Vc | 0.860 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
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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