Rasagiline tartrate

CAT: 0926-FR159543-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-FR159543-01Size:25 mg

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CAS Number

136236-52-7

Smiles

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

Molecular Formula

C12H13N·1/2C4H6O6

Molecular Weight

246.28 g/mol

Controlled

Chemical Information

Rasagiline Tartrate

See also: Rasagiline (has active moiety).

CAS Number	136236-52-7
PubChem CID	71550735
IUPAC Name	(2R,3R)-2,3-dihydroxybutanedioic acid;bis((1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine)
Molecular Formula	C28H32N2O6
Molecular Weight	492.6
Topological Polar Surface Area	139
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Heavy Atom Count	36
Formal Charge	0
Complexity	346

SMILES

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

InChI

InChI=1S/2C12H13N.C4H6O6/c2*1-2-9-13-12-8-7-10-5-3-4-6-11(10)12;5-1(3(7)8)2(6)4(9)10/h2*1,3-6,12-13H,7-9H2;1-2,5-6H,(H,7,8)(H,9,10)/t2*12-;1-,2-/m111/s1

InChIKey

YGKHOZXCTLKSLJ-KHAGDFGNSA-N

Chemical Structure

2D Structure

CAS: 136236-52-7

CID: 71550735

Formula: C28H32N2O6

MW: 492.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	492.6
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Exact Mass	492.22603674
Monoisotopic Mass	492.22603674
Topological Polar Surface Area	139 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	346
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

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AR-R10376-01	Rasagiline Hemi-L-Tartrate
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T13252	(S) -Rasagiline

Rasagiline tartrate

Chemical Information

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