chempirical

Safinamide mesylate

C18H23FN2O5SCAS 202825-46-5398.45 g/mol

Open in Covalent MOL file
SOOOHNHOFNH2O
Aryl halideEtherSecondary amineSulfonic acid

Properties

Molecular formula
C18H23FN2O5S
Molar mass
398.45 g/mol
Exact mass
398.1312 Da
logP
2.92Crippen estimate
Polar surface area
119.7 Ų
H-bond donors / acceptors
4 / 5
Rotatable bonds
7
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
202825-46-5
SMILES
CS(=O)(=O)O.C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(=N)O
InChIKey
YKOCHIUQOBQIAC-YDALLXLXSA-N
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names
  • Propanamide, 2-[[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]amino]-, (2S)-, methanesulfonate (1:1)
  • Propanamide, 2-[[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]amino]-, (S)-, monomethanesulfonate
  • Propanamide, 2-[[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]amino]-, (2S)-, monomethanesulfonate
  • PNU 151774E
  • NW 1015
  • (S)-2-[[4-[(3-Fluorobenzyl)oxy]benzyl]amino]propanamide methanesulfonate
  • Safinamide methanesulfonate
  • EMD 1195686 mesylate
  • Xadago

Work with Safinamide mesylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Safinamide133865-89-182 % similar 4-[(3-Fluorophenyl)methoxy]benzaldehyde66742-57-239 % similar 2-[4-[(4-Nitrophenyl)methoxy]phenyl]ethyl carbamimidothioate methanesulfonate (1:1)182004-65-536 % similar 2-Azabicyclo[3.1.0]hexane-3-carboxamide, (1S,3S,5S)-, methanesulfonate (1:1)709031-45-832 % similar 1-Fluoro-4-(phenylmethoxy)benzene370-78-531 % similar 1-[4-[(4-Fluorophenyl)methoxy]phenyl]ethanone72293-96-031 % similar 2-[4-(Phenylmethoxy)phenoxy]acetic acid38559-92-130 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook