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

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»)-

log₁₀WS : Log10 of Water solubility in mol/l.
logP_oct/wat : Octanol/Water partition coefficient.
McVol : McGowan's characteristic volume (ml/mol).
I_np : Non-polar retention indices.
¹: Molecular weight from the IUPAC atomic weights tables.

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Physical Properties

Property	Value	Unit	Source
log₁₀WS	-2.76		Crippen Calculated Property
logP_oct/wat	2.020		Crippen Calculated Property
McVol	220.570	ml/mol	McGowan Calculated Property
I_np	[2380.00; 2459.00]
I_np	2380.00		NIST
I_np	2459.00		NIST
I_np	2380.00		NIST

Similar Compounds

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