Rasagiline Mesylate

CAT: 1596-AR-R10380-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-R10380-01Size:10 Units

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CAS Number

161735-79-1

Synonyms

(R) -N- (prop-2-yn-1-yl) -2,3-dihydro-1H-inden-1-amine, methanesulfonate (1:1)

Molecular Formula

C12H13N. CH4O3S

Molecular Weight

171.24 96.10

API Name

Rasagiline

Chemical Information

Rasagiline Mesylate

See also: Rasagiline (has active moiety).

CAS Number	161735-79-1
PubChem CID	3052775
IUPAC Name	methanesulfonic acid;(1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
Molecular Formula	C13H17NO3S
Molecular Weight	267.35
Topological Polar Surface Area	74.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	18
Formal Charge	0
Complexity	305

SMILES

CS(=O)(=O)O.C#CCN[C@@H]1CCC2=CC=CC=C12

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

InChIKey

JDBJJCWRXSVHOQ-UTONKHPSSA-N

Chemical Structure

2D Structure

CAS: 161735-79-1

CID: 3052775

Formula: C13H17NO3S

MW: 267.35

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	267.35
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	267.09291458
Monoisotopic Mass	267.09291458
Topological Polar Surface Area	74.8 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	305
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
AR-R01248-01	Rasagiline-13C3 Mesylate
AR-R01262-01	Rasagiline Impurity 5 Mesylate
AR-R10346-01	Rasagiline Impurity 7 Mesylate
AR-R01266-01	Rasagiline Impurity 7 Mesylate
AR-R01249-01	Rasagiline
AR-R01254-01	Rasagiline Sulfate
AR-R01250-01	Rasagiline glucuronide
AR-R01265-01	(S) -Rasagiline
AR-R10353-01	Rasagiline Impurity 23
AR-R10371-01	Rasagiline Impurity 12

Catalog	Name
FR15445-01	Rasagiline mesylate
HY-14605-01	Rasagiline (mesylate)