N~2~-{4-[(3-Fluorobenzyl)oxy]benzyl}-L-alaninamide methanesulfonate (1:1)

Basic Information

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CAS Number

202825-46-5

Molecular Formula

C18H23FN2O5S

Molecular Weight

398.46 g/mol

Basic Physical Properties

Physical State

No data available

Melting Point

210° (dec)

Boiling Point

No data available

Flash Point

No data available

Solubility

H2O: ≥15mg/mL

Vapor Pressure

No data available

Specific Rotation

D25 +12.9° (c = 1.1% in 98% acetic acid)

SMILES

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C[C@@H](C(=O)N)NCc1ccc(cc1)OCc2cccc(c2)F.CS(=O)(=O)O

InChI

InChI=1S/C17H19FN2O2.CH4O3S/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14;1-5(2,3)4/h2-9,12,20H,10-11H2,1H3,(H2,19,21);1H3,(H,2,3,4)/t12-;/m0./s1

InChIKey

YKOCHIUQOBQIAC-YDALLXLXSA-N

LogP

1.8721

Topological Polar Surface Area

118.72000000000001 Å²

Hydrogen Bond Donor/Acceptor

4 / 7

Complexity

438

Safety Information

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Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H318 Causes serious eye damage
Serious eye damage/eye irritation

H400 Very toxic to aquatic life
Hazardous to the aquatic environment, acute hazard

Synonyms & References

English

(S)-2-((4-((3-Fluorobenzyl)oxy)benzyl)amino)propanamide methanesulfonate
(S)-( )-2-(4-(3-Fluorobenzyloxy) benzylamino)propanamide, methanesulfonate
NW 1015
(2R)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide
methanesulfonic acid
Propanamide, 2-(((4-((3-fluorophenyl)methoxy)phenyl)methyl)amino)-, (S)-, monomethanesulfonate
PNU 151774E
Safinamide mesylate
(S)-2-((4-((3-Fluorobenzyl)oxy)benzyl)-amino)propanamide methanesulfonate
Propanamide,2-[[[4-[(3-fluorophenyl)methoxy]- phenyl]methyl]amino]-,(2S)-,monomethanesulfonate
SAFINAMIDE MESILATE
Safinamide Methanesulfonate
FCE-26743
FCE-28073(R-isomer)
N~2~-{4-[(3-fluorobenzyl)oxy]benzyl}-D-alaninamide methanesulfonate
NW-1015
PNU-151774E
(S)-2-[[4-[(3-Fluorobenzyl)oxy]benzyl]amino]propanamide methanesulfonate
(S)-(+)-2-[[4-(3-Fluorobenzoxy)benzyl]amino]propanamide
(S)-2-[[4-[(3-Fluorobenzyl)oxy]benzyl]amino]propanamide
PNU-151774E, NW-1015
Safinamide mesylate [USAN]
YS90V3DTX0
Safinamide mesylate (USAN)
R-isomer
Xadago (TN)
Safi
(S)-(+)-2-[[4-(3-Fluorobenzoxy)benzyl]amino]propanamide; (S)-2-[[4-[(3-Fluorobenzyl)oxy]benzyl]amino]propanamide; FCE-26743; PNU-151774E, NW-1015;

MDL Number

MFCD15145475

FAQ

What is N~2~-{4-[(3-Fluorobenzyl)oxy]benzyl}-L-alaninamide methanesulfonate (CAS: 202825-46-5)?

N~2~-{4-[(3-Fluorobenzyl)oxy]benzyl}-L-alaninamide methanesulfonate (CAS: 202825-46-5) is a complex organic compound with potential applications in pharmaceuticals. It consists of a L-alanine derivative linked to a methanesulfonate group via a nitrogen atom. This compound has a molecular structure with aromatic and amide functional groups.

What are the main uses of N~2~-{4-[(3-Fluorobenzyl)oxy]benzyl}-L-alaninamide methanesulfonate (CAS: 202825-46-5)?

N~2~-{4-[(3-Fluorobenzyl)oxy]benzyl}-L-alaninamide methanesulfonate (CAS: 202825-46-5) is primarily used in the pharmaceutical industry for developing new drug candidates due to its structural complexity and potential biological activities. It can also be studied in research and development for its unique chemical properties.

Is N~2~-{4-[(3-Fluorobenzyl)oxy]benzyl}-L-alaninamide methanesulfonate (CAS: 202825-46-5) safe?

N~2~-{4-[(3-Fluorobenzyl)oxy]benzyl}-L-alaninamide methanesulfonate (CAS: 202825-46-5) is generally safe when handled properly. However, it should be stored away from heat and light. Protective gloves and goggles are recommended during handling. Users should be aware of potential skin and eye irritation. Follow all safety guidelines provided by the manufacturer.

How should N~2~-{4-[(3-Fluorobenzyl)oxy]benzyl}-L-alaninamide methanesulfonate (CAS: 202825-46-5) be stored?

N~2~-{4-[(3-Fluorobenzyl)oxy]benzyl}-L-alaninamide methanesulfonate (CAS: 202825-46-5) should be stored in a cool, dry place, protected from light and heat. It should be kept in a tightly sealed container. Store at room temperature away from incompatible materials. Avoid contact with skin and eyes. Keep out of reach of children and pets.