Safinamide mesylateProduct ingredient for Safinamide

Name
Safinamide mesylate
Drug Entry
Safinamide

Safinamide is for the treatment of parkinson's disease. It was approved in Europe in February 2015, and in the United States on March 21, 2017.

Accession Number
DBSALT002034
Structure
Synonyms
Safinamide mesilate / Safinamide mesylate
External IDs
FCE-28073 / NW 1015 / PNU 151774E / PNU-151774E
UNII
YS90V3DTX0
CAS Number
202825-46-5
Weight
Average: 398.45
Monoisotopic: 398.131171186
Chemical Formula
C18H23FN2O5S
InChI Key
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
IUPAC Name
(2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl)amino]propanamide; methanesulfonic acid
SMILES
CS(O)(=O)=O.C[C@H](NCC1=CC=C(OCC2=CC=CC(F)=C2)C=C1)C(N)=O
ChemSpider
2302066
ChEMBL
CHEMBL48582
Predicted Properties
PropertyValueSource
Water Solubility0.00989 mg/mLALOGPS
logP2.59ALOGPS
logP2.48Chemaxon
logS-4.5ALOGPS
pKa (Strongest Acidic)15.76Chemaxon
pKa (Strongest Basic)7.93Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area64.35 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity83 m3·mol-1Chemaxon
Polarizability32.38 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon