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Rasagiline 100mg

CAT: 0628-A11111-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A11111-100Size:100 mg
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CAS Number
136236-51-6

Chemical Information

Rasagiline

Rasagiline is an indane that consists of 1-aminoindane bearing an N-propargyl substituent. A selective, irreversible monoamine oxidase-B inhibitor. It has a role as an EC 1.4.3.4 (monoamine oxidase) inhibitor and a neuroprotective agent. It is a secondary amine, a member of indanes and a terminal acetylenic compound.

CAS Number136236-51-6
PubChem CID3052776
IUPAC Name(1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
Molecular FormulaC12H13N
Molecular Weight171.24
XLogP1.8
Topological Polar Surface Area12
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity212
SMILES
C#CCN[C@@H]1CCC2=CC=CC=C12
InChI
InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m1/s1
InChIKey
RUOKEQAAGRXIBM-GFCCVEGCSA-N
Chemical Structure
2D Structure
2D structure of Rasagiline
CAS: 136236-51-6
CID: 3052776
Formula: C12H13N
MW: 171.24
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight171.24
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass171.104799419
Monoisotopic Mass171.104799419
Topological Polar Surface Area12 Ų
Heavy Atom Count13
Formal Charge0
Complexity212
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes