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150812-13-8

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Basic Information
CAS No.: 150812-13-8
Name: Retigabine Dihydrochloride
Article Data: 3
Molecular Structure:
Molecular Structure of 150812-13-8 (Retigabine Dihydrochloride)
Formula: C16H18FN3O2.2HCl
Molecular Weight: 339.797
Synonyms: Ethyl [2-amino-4-[[(4-fluorophenyl)methyl]amino]phenyl]carbamatedihydrochloride;N-(2-Amino-4-(4-fluorobenzylamino)phenyl)carbamic acid ethyl ester dihydrochloride;
EINECS: 2017-001-1
Melting Point: 168-170°C
Boiling Point: 430 °C at 760 mmHg
Flash Point: 213.9 °C
Appearance: Off-white powder
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Chemistry

Molecular Structure of Retigabine Dihydrochloride (CAS NO.150812-13-8):

Empirical Formula: C16H20Cl2FN3O2
Molecular Weight: 376.2533
H bond acceptors: 5
H bond donors: 4
Freely Rotating Bonds: 7
Polar Surface Area: 36.02Å2
Flash Point: 213.9 °C
Enthalpy of Vaporization: 68.54 kJ/mol
Boiling Point: 430 °C at 760 mmHg
Vapour Pressure: 1.34E-07 mmHg at 25°C
Melting point: 168-170°C
SMILES: O=C(OCC)Nc1ccc(cc1N)NCc2ccc(F)cc2.Cl.Cl
InChI: InChI=1/C16H18FN3O2.2ClH/c1-2-22-16(21)20-15-8-7-13(9-14(15)18)19-10-11-3-5-12(17)6-4-11;;/h3-9,19H,2,10,18H2,1H3,(H,20,21);2*1H
Product Categories: Chemical Amines; Amines; Aromatics; Intermediates & Fine Chemicals; Pharmaceuticals

Specification

  Retigabine Dihydrochloride , with CAS number of 150812-13-8, can be called carbamic acid, N-[2-amino-4-[[(4-fluorophenyl)methyl]amino]phenyl]-, ethyl ester, hydrochloride (1:2) ; Ethyl {2-amino-4-[(4-fluorobenzyl)amino]phenyl}carbamate dihydrochloride . It is an off-White Powder, used as a new experimental anticonvulsant drug. Anxiolytic.