Rasagiline mesylateProduct ingredient for Rasagiline

Name
Rasagiline mesylate
Drug Entry
Rasagiline

Rasagiline is an irreversible inhibitor of monoamine oxidase and is used as a monotherapy in early Parkinson's disease or as an adjunct therapy in more advanced cases.

Accession Number
DBSALT001384
Structure
Synonyms
Rasagiline (as mesilate) / Rasagiline mesilate / Rasagiline methanesulfonate
UNII
LH8C2JI290
CAS Number
161735-79-1
Weight
Average: 267.34
Monoisotopic: 267.092914585
Chemical Formula
C13H17NO3S
InChI Key
JDBJJCWRXSVHOQ-UTONKHPSSA-N
InChI
InChI=1S/C12H13N.CH4O3S/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12;1-5(2,3)4/h1,3-6,12-13H,7-9H2;1H3,(H,2,3,4)/t12-;/m1./s1
IUPAC Name
(1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-amine; methanesulfonic acid
SMILES
CS(O)(=O)=O.[H][C@]1(CCC2=CC=CC=C12)NCC#C
ChemSpider
2314552
ChEMBL
CHEMBL1201142
Wikipedia
Rasagiline
Predicted Properties
PropertyValueSource
Water Solubility0.0249 mg/mLALOGPS
logP2.26ALOGPS
logP2.3Chemaxon
logS-3.8ALOGPS
pKa (Strongest Basic)8.4Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count1Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area12.03 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity54.47 m3·mol-1Chemaxon
Polarizability20.16 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon