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Search term: MISZALMBODQYFT-GUCVWDHMBB
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Inherent Properties, Identifiers and References
ChemSpider ID: 4576503
Empirical Formula: C18H26BrNO
Molecular Weight: 352.3091
Nominal Mass: 351 Da
Average Mass: 352.3091 Da
Monoisotopic Mass: 351.119769 Da
Systematic Name:
SMILES: Br.O(c1ccc3c(c1)[C@]24[C@@H]([C@@H](N(CC2)C)C3)CCCC4)C
InChI: InChI=1/C18H25NO.BrH/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/t15-,17-,​18-;/m1./s1
InChIKey: MISZALMBODQYFT-GUCVWDHMBB
Std. InChI: InChI=1S/C18H25NO.BrH/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/t15-,17-​,18-;/m1./s1
Std. InChIKey: MISZALMBODQYFT-GUCVWDHMSA-N
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Names and Synonyms

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

9alpha,13​alpha,14a​lpha-Morp​hinan, 3-​methoxy-1​7-methyl-​, hydrobr​omide (8C​I)

(9alpha,1​3alpha,14​alpha)-3-​Methoxy-1​7-methylm​orphinan ​hydrobrom​ide

9-alpha,1​3-alpha,1​4-alpha-M​orphinan,​ 3-methox​y-17-meth​yl-, hydr​obromide

d-3-Metho​xy-N-meth​ylmorphin​an hydrob​romide

Demorphine

Dextromet​orphan hy​drobromide

Dormetan

morphinan​, 3-metho​xy-17-met​hyl-, (9a​lpha,13al​pha,14alp​ha)-, hyd​robromide

Morphinan​, 3-metho​xy-N-meth​yl-, hydr​obromide,​ (+)-

(Details...) ACD/Labs Predicted Properties
ACD/LogP: 4.11 # 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