Chemical Properties of Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-, (5«alpha»)- (CAS 465-65-6)

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
• 12-Allyl-7,7a,8,9-tetrahydro-3,7a-dihydroxy-4aH-8,9c-iminoethanophenanthro(4,5-bcd)furan-5-one
• 17-Allyl-4,5-«alpha»-epoxy-3,14-dihydroxymorphinan-6-one
• 4aH-8,9c-Iminoethanophenanthro(4,5-bcd)furan-5(6H)-one, N-allyl-7,7a,8,9-tetrahydro-3,7a-dihydroxy-
• EN 1530 base
• Morphinan-6-one, 17-allyl-4,5«alpha»-epoxy-3,14-dihydroxy-
• Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propen-1-yl)-, (5«alpha»)-
• Morphinan-6-one, 4,5«alpha»-epoxy-3,14-dihydroxy-17-(2-propenyl)-
• N-Allylnoroxymorphone
• NSC 70413
• Naloxone
• Normorphinone, N-allyl-7,8-dihydro-14-hydroxy-, (-)-
• Normorphinone, N-allyl-dihydro-14-hydroxy-
• l-N-Allyl-14-hydroxynordihydromorphinone
• l-N-Allyl-7,8-dihydro-14-hydroxynormorphinone
• l-Naloxone

• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
logPoct/wat	1.301		Crippen Calculated Property
McVol	236.230	ml/mol	McGowan Calculated Property
Inp	[2794.40; 2794.40]
Inp	2794.40		NIST
Inp	2794.40		NIST
Tfus	475.65	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

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, Log10 of Water solubility in mol/l 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

Find more compounds similar to Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-, (5«alpha»)-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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