Chemical Properties of Acetyldihydrocodeine (CAS 3861-72-1)

InChI

InChI=1S/C20H25NO4/c1-11(22)24-16-7-5-13-14-10-12-4-6-15(23-3)18-17(12)20(13,19(16)25-18)8-9-21(14)2/h4,6,13-14,16,19H,5,7-10H2,1-3H3

InChI Key

LGGDXXJAGWBUSL-UHFFFAOYSA-N

Formula

C20H25NO4

SMILES

COc1ccc2c3c1OC1C(OC(C)=O)CCC4C(C2)N(C)CCC341

Molecular Weight¹

343.42

CAS

3861-72-1

Other Names

(5«alpha»,6«alpha»)-4,5-epoxy-3-methoxy-17-methylmorphinan-6-yl acetate
(5Â«alphaÂ»,6Â«alphaÂ»)-4,5-epoxy-3-methoxy-17-methylmorphinan-6-yl acetate
7,8-Dihydrocodeine acetate
Acetylcodone
Acetyldihydrokodein
Codeine, acetyldihydro-
Codeine, dihydro-, acetate
Dihydrocodeine 6-acetate
Dihydrothebacone
Morphinan-6-ol, 4,5-epoxy-3-methoxy-17-methyl-, acetate (ester), (5.alpha.,6.alpha.)-
Morphinan-6-ol, 4,5-epoxy-3-methoxy-17-methyl-, acetate (ester), (5«alpha»,6«alpha»)-
Morphinan-6-ol, 4,5-epoxy-3-methoxy-17-methyl-, acetate (ester), (5Â«alphaÂ»,6Â«alphaÂ»)-
Morphinan-6-ol, 4,5-epoxy-3-methoxy-17-methyl-, acetate, (5«alpha»,6«alpha»)-
Morphinan-6-ol, 4,5-epoxy-3-methoxy-17-methyl-, acetate, (5Â«alphaÂ»,6Â«alphaÂ»)-
Morphinan-6«alpha»-ol, 4,5-«alpha»-epoxy-3-methoxy-17-methyl-, acetate
Morphinan-6«alpha»-ol, 4,5«alpha»-epoxy-3-methoxy-17-methyl-, acetate (ester)
Morphinan-6Â«alphaÂ»-ol, 4,5-Â«alphaÂ»-epoxy-3-methoxy-17-methyl-, acetate
Morphinan-6Â«alphaÂ»-ol, 4,5Â«alphaÂ»-epoxy-3-methoxy-17-methyl-, acetate (ester)

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	-1.75		Aq. Sol...
logP_oct/wat	2.296		Crippen Calculated Property
McVol	254.620	ml/mol	McGowan Calculated Property
I_np	[2455.00; 2480.00]
I_np	2480.00		NIST
I_np	2455.00		NIST
I_np	2455.00		NIST
I_np	2455.00		NIST

Similar Compounds

Find more compounds similar to Acetyldihydrocodeine.

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