Chemical Properties of Desomorphine (CAS 427-00-9)

InChI

InChI=1S/C17H21NO2/c1-18-8-7-17-11-3-2-4-14(17)20-16-13(19)6-5-10(15(16)17)9-12(11)18/h5-6,11-12,14,19H,2-4,7-9H2,1H3

InChI Key

LNNWVNGFPYWNQE-UHFFFAOYSA-N

Formula

C17H21NO2

SMILES

CN1CCC23c4c5ccc(O)c4OC2CCCC3C1C5

Molecular Weight¹

271.35

CAS

427-00-9

Other Names

Morphinan-3-ol, 4,5-epoxy-17-methyl-, (5«alpha»)-
Morphine, 6-deoxy-7,8-dihydro-
Deoxydihydromorphine D
Dihydrodeoxymorphine
Dihydrodesoxymorphine
Morphine D, deoxydihydro-
Permonid
4,5-Epoxy-3-hydroxy-N-methylmorphinan
Morphinan-3-ol, 4,5-«alpha»-epoxy-17-methyl-
Desomorfin
Dihydrodesoxymorphine-D
Dihydroepoxymorphine
Desmorphine
6-Deoxy-7,8-dihydromorphine

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	-3.06		Crippen Calculated Property
logP_oct/wat	2.451		Crippen Calculated Property
McVol	204.910	ml/mol	McGowan Calculated Property
I_np	[2232.00; 2295.00]
I_np	2295.00		NIST
I_np	2232.00		NIST

Similar Compounds

Find more compounds similar to Desomorphine.

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