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55096-26-9

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Basic Information
CAS No.: 55096-26-9
Name: Morphinan-3,14-diol,17-(cyclopropylmethyl)-4,5-epoxy-6-methylene-, (5a)-
Article Data: 5
Cas Database
Molecular Structure:
Molecular Structure of 55096-26-9 (Morphinan-3,14-diol,17-(cyclopropylmethyl)-4,5-epoxy-6-methylene-, (5a)-)
Formula: C21H25 N O3
Molecular Weight: 339.434
Synonyms: (-)-Nalmefene;6-Deoxo-6-methylenenaltrexone; 6-Desoxy-6-methylenenaltrexone; JF 1; Nalmefene;Nalmetrene; ORF 11676
EINECS: N/A
Density: 1.38±0.1 g/cm3(Predicted)
Melting Point: 182-185?C
Boiling Point: 507.9±50.0 °C(Predicted)
Flash Point: N/A
Solubility: N/A
Appearance: N/A
Hazard Symbols: Xi
Risk Codes: 36/37/38
Safety: 26-36
Transport Information: N/A
PSA: 52.93000
LogP: 2.45040
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Chemistry

Molecular Structure of Nalmefene (CAS No.55096-26-9):
 
Molecular Formula: C21H25NO
Molecular Weight: 339.4281
CAS No: 55096-26-9
H bond acceptors: 4
H bond donors: 2
Freely Rotating Bonds: 4
Polar Surface Area: 30.93 Å2
Index of Refraction: 1.693
Molar Refractivity: 94.16 cm3
Molar Volume: 245.2 cm3
Surface Tension: 68 dyne/cm
Density: 1.38 g/cm3
Flash Point: 261 °C
Enthalpy of Vaporization: 81.93 kJ/mol
Boiling Point: 507.9 °C at 760 mmHg
Vapour Pressure: 3.88E-11 mmHg at 25°C
InChI: InChI=1/C21H25NO3/c1-12-6-7-21(24)16-10-14-4-5-15(23)18-17(14)20(21,19(12)25-18)8-9-22(16)11-13-2-3-13/h4-5,13,16,19,23-24H,1-3,6-11H2/t16-,19+,20+,21-/m1/s1
InChIKey: WJBLNOPPDWQMCH-MBPVOVBZBG
Std. InChI: InChI=1S/C21H25NO3/c1-12-6-7-21(24)16-10-14-4-5-15(23)18-17(14)20(21,19(12)25-18)8-9-22(16)11-13-2-3-13/h4-5,13,16,19,23-24H,1-3,6-11H2/t16-,19+,20+,21-/m1/s1
Std. InChIKey: WJBLNOPPDWQMCH-MBPVOVBZSA-N
Classification Code: Antagonist [to narcotics];Central Nervous System Agents;Narcotic antagonists;Peripheral Nervous System Agents;Sensory System Agents

Uses

  As an opioid receptor antagonist , Nalmefene (Revex) is used primarily in the management of alcohol dependence, and also has been investigated for the treatment of other addictions such as pathological gambling and addiction to shopping.
  And also it is an opiate derivative similar in both structure and activity to the opiate antagonist naltrexone. Advantages of nalmefene relative to naltrexone include longer half-life, greater oral bioavailability and no observed dose-dependent liver toxicity. As with other drugs of this type, nalmefene can precipitate acute withdrawal symptoms in patients who are dependent on opioid drugs, or more rarely when used post-operatively to counteract the effects of strong opioids used in surgery.

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
WGK Germany: 3
Hazardous Substances Data: 55096-26-9

Specification

   Nalmefene (CAS No.55096-26-9), its synonyms are (5alpha)-17-(Cyclopropylmethyl)-4,5-epoxy-6-methylenemorphinon-3,14-diol ;17-(Cyclopropylmethyl)-4,5alpha-epoxy-6-methylenemorphinan-
3,14-diol ;6-Desoxy-6-methylenenaltrexone ; 9a-(Cyclopropylmethyl)-4,5alpha-epoxy-6-methylen-3,14-morphinandiol .