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Propanamide,2-[[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]amino]-, (2S)- (133865-89-1)

Identification
Name:Propanamide,2-[[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]amino]-, (2S)-
Synonyms:Propanamide,2-[[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]amino]-, (S)-;(S)-2-[[4-[(3-Fluorobenzyl)oxy]benzyl]amino]propanamide;FCE 26743;Safinamide;2(S)-[4-(3-Fluorobenzyloxy)benzylamino]propionamide;
CAS:133865-89-1
Molecular Formula: C17H19FN2O2
Molecular Weight: 302.347
InChI: InChI=1/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m1/s1
Molecular Structure: (C17H19FN2O2) Propanamide,2-[[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]amino]-, (S)-;(S)-2-[[4-[(3-Fluorobenzyl)o...
Properties
Density:1.189 g/cm3
Refractive index:1.569
Specification:

The Safinamide with its cas register number is 133865-89-1. It also can be called as  2(S)-[4-(3-Fluorobenzyloxy)benzylamino]propionamide and the IUPAC name about this chemical is (2R)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide.

Physical properties about Safinamide are: (1)#H bond acceptors: 4; (2)#H bond donors: 3; (3)#Freely Rotating Bonds: 7; (4)Polar Surface Area: 32.78Å2; (5)Index of Refraction: 1.569; (6)Molar Refractivity: 83.34 cm3; (7)Molar Volume: 254.1 cm3; (8)Polarizability: 33.04x10-24cm3; (9)Surface Tension: 45.1 dyne/cm; (10)Enthalpy of Vaporization: 74.05 kJ/mol; (11)Vapour Pressure: 2.98E-09 mmHg at 25°C

Safinamide is a candidate drug and it is a monoamine oxidase B inhibitor, reducing degradation of dopamine. It can be used as a glutamate release inhibitor. Also it seems to inhibit dopamine reuptake. Furthermore, safinamide blocks sodium and calcium channels.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C(=O)N)NCC1=CC=C(C=C1)OCC2=CC(=CC=C2)F
(2)Isomeric SMILES: C[C@H](C(=O)N)NCC1=CC=C(C=C1)OCC2=CC(=CC=C2)F
(3)InChI: InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m1/s1
(4)InChIKey: NEMGRZFTLSKBAP-GFCCVEGCSA-N

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