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58895-64-0

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Basic Information
CAS No.: 58895-64-0
Name: Nalmefene hydrochloride
Molecular Structure:
Molecular Structure of 58895-64-0 (Nalmefene hydrochloride)
Formula: C21H25NO3.HCl
Molecular Weight: 375.895
Synonyms: Morphinan-3,14-diol,17-(cyclopropylmethyl)-4,5-epoxy-6-methylene-, hydrochloride, (5a)- (9CI);NIH 10365;Nalmefenehydrochloride;Revex;? Nalmefene hydrochloride;
Melting Point: 105-110oC
Boiling Point: 507.9 °C at 760 mmHg
Flash Point: 261 °C
PSA: 52.93000
LogP: 3.25240
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Specification

The Morphinan-3,14-diol,17-(cyclopropylmethyl)-4,5-epoxy-6-methylene-, hydrochloride (1:1), (5a)-, with the CAS registry number 58895-64-0, is also known as 17-(Cyclopropylmethyl)-4,5alpha-epoxy-6-methylenemorphinan-3,14-diol hydrochloride. This chemical's molecular formula is C21H25NO3.HCl and molecular weight is 375.89. Its systematic name is called (5α)-17-(cyclopropylmethyl)-6-methylidene-4,5-epoxymorphinan-3,14-diol hydrochloride.

Physical properties of Morphinan-3,14-diol,17-(cyclopropylmethyl)-4,5-epoxy-6-methylene-, hydrochloride (1:1), (5a)-: (1)ACD/LogP: 2.66; (2)#H bond acceptors: 4; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 30.93 Å2; (6)Flash Point: 261 °C; (7)Enthalpy of Vaporization: 81.93 kJ/mol; (8)Boiling Point: 507.9 °C at 760 mmHg; (9)Vapour Pressure: 3.88E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Oc2c1O[C@H]5\C(=C)CC[C@@]4(O)[C@@H]3N(CC[C@@]45c1c(cc2)C3)CC6CC6
(2)InChI: InChI=1/C21H25NO3.ClH/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;1H/t16-,19+,20+,21-;/m1./s1
(3)InChIKey: GYWMRGWFQPSQLK-OPHZJPRHBT