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(14α)-3-Methoxy-17-methylmorphinan hydrobromide hydrate

ChemSpider ID: 4575390
Molecular Formula: C₁₈H₂₈BrNO₂
Monoisotopic mass: 369.130341 Da
Systematic name

(9α,13α,14α)-3-Methoxy-17-methylmorphinan hydrobromide hydrate
SMILES and InChIs

SMILES:

Br.O.O(c1ccc3c(c1)[C@]24[C@@H]([C@@H](N(CC2)C)C3)CCCC4)C Copied

Std. InChI:

InChI=1S/C18H25NO.BrH.H2O/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18;;/h6-7,12,15,17H,3-5,8-11H2,1-2H3;1H;1H2/t15-,17-,18-;;/m1../s1 Copied

Std. InChIKey:

STTADZBLEUMJRG-NPTCXNBYSA-N Copied

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

(14α)-3-Methoxy-17-methylmorphinan hydrobromide hydrate

morphinan, 3-methoxy-17-methyl-, (14α)-, hydrobromide, hydrate (1:1:1)

3-METHOXY-17-METHYL-9α,13α,14α-MORPHINAN HYDROBROMIDE MONOHYDRATE

6700-34-1 [RN]

9α,13α,14α-MORPHINAN, 3-METHOXY-17-METHYL-, HYDROBROMIDE, MONOHYDRATE

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Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

D00848 [DBID]

NCGC00017066-01 [DBID]

Prestwick_686 [DBID]

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Properties

Predicted - ACD/Labs
Predicted - ChemAxon

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

ACD/LogP:	4.111	# of Rule of 5 Violations:	0
ACD/LogD (pH 5.5):		ACD/LogD (pH 7.4):
ACD/BCF (pH 5.5):		ACD/BCF (pH 7.4):
ACD/KOC (pH 5.5):		ACD/KOC (pH 7.4):
#H bond acceptors:	2	#H bond donors:	0
#Freely Rotating Bonds:	1	Polar Surface Area:	12.47 Å²
Index of Refraction:		Molar Refractivity:	cm³
Molar Volume:	cm³	Polarizability:	10^-24cm³
Surface Tension:	dyne/cm	Density:	g/cm³
Flash Point:	116.2 °C	Enthalpy of Vaporization:	64.5 kJ/mol
Boiling Point:	394.9 °C at 760 mmHg	Vapour Pressure:	1.92E-06 mmHg at 25°C

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(14α)-3-Methoxy-17-methylmorphinan hydrobromide hydrate

SMILES:

Std. InChI:

Std. InChIKey:

Names and Identifiers

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(14α)-3-Methoxy-17-methylmorphinan hydrobromide hydrate

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Std. InChI:

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