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Lacosamide

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Name

Lacosamide

EINECS
CAS No. 175481-36-4 Density 1.12 g/cm3
Solubility Melting Point 141-143?C
Formula C13H18N2O3 Boiling Point 536.4 °C at 760 mmHg
Molecular Weight 250.29 Flash Point 278.2 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 175481-36-4 (Lacosamide) Hazard Symbols
Synonyms

Propanamide,2-(acetylamino)-3-methoxy-N-(phenylmethyl)-, (R)-;ADD 243037;Erlosamide;Harkoseride;SPM 927;Propanamide,2-(acetylamino)-3-methoxy-N-(phenylmethyl)-, (2R)-;

 

Lacosamide Specification

1. Introduction of Lacosamide
Lacosamide is one kind of white to off-white powder. Its IUPAC Name is (2R)-2-Acetamido-N-benzyl-3-methoxypropanamide. Besides, Lacosamide belongs to Amino Acids 13C, 2H, 15N;Amino Acids & Derivatives;Intermediates & Fine Chemicals;Pharmaceuticals;API. In addition, the Classification Code of it is Anticonvulsant; Anticonvulsants; Treatment of epilepsy and neuropathic pain. Lacosamide is sparingly soluble in water and slightly soluble in acetonitrile and ethanol.

2. Properties of Lacosamide
Physical properties about Lacosamide are:
(1)Index of Refraction: 1.52; (2)Molar Refractivity: 67.91 cm3; (3)Molar Volume: 223.3 cm3; (4)Density: 1.12 g/cm3; (5)Flash Point: 278.2 °C; (6)Surface Tension: 41.1 dyne/cm; (7)Enthalpy of Vaporization: 81.31 kJ/mol; (8)Boiling Point: 536.4 °C at 760 mmHg; (9)Vapour Pressure: 1.4E-11 mmHg at 25 °C; (10)XLogP3-AA: 0.3; (11)H-Bond Donor: 2; (12)H-Bond Acceptor: 3; (13)Rotatable Bond Count: 6; (14)Tautomer Count: 4; (15)Exact Mass: 250.131742; (16)MonoIsotopic Mass: 250.131742; (17)Topological Polar Surface Area: 67.4; (18)Heavy Atom Count: 18; (19)Formal Charge: 0; (20)Complexity: 275; (21)Isotope Atom Count: 0; (22)Defined Atom Stereocenter Count: 1; (23)Undefined Atom Stereocenter Count: 0; (24)Defined Bond Stereocenter Count: 0; (25)Undefined Bond Stereocenter Count: 0; (26)Covalently-Bonded Unit Count: 1; (27)Feature 3D Acceptor Count: 3; (28)Feature 3D Donor Count: 2; (29)Feature 3D Ring Count: 1; (30)Effective Rotor Count: 8; (31)Conformer Sampling RMSD: 0.8.

3. Structure Descriptors of Lacosamide
(1)Canonical SMILES: CC(=O)NC(COC)C(=O)NCC1=CC=CC=C1
(2)Isomeric SMILES: CC(=O)N[C@H](COC)C(=O)NCC1=CC=CC=C1
(3)InChI: InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1
(4)InChIKey: VPPJLAIAVCUEMN-GFCCVEGCSA-N
(5)Smiles: C(=O)([C@@H](COC)NC(=O)C)NCc1ccccc1

4. Uses of Lacosamide
Lacosamide (CAS NO.175481-36-4) can be used as a potent anticonvulsant. Lacosamide is a medication developed by UCB for the adjunctive treatment of partial-onset seizures and diabetic neuropathic pain marketed under the trade name Vimpat. Besides, Lacosamide is a potent anticonvulsant.

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