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Racemic rasagiline

CAT: 0013-GTR19208638-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208638-01Size:25 mg
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Description
Rasagiline (AGN-1135) is a racemic MAO-B inhibitor whose use carries a risk of tyramine-induced hypertensive crisis. Its (S) -isomer, TVP-1022, is investigated as a cardioprotective agent in preclinical research, with studies exploring its mechanisms in both in vitro and in vivo models.
CAS Number
1875-50-9
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
C#CCNC1CCc2ccccc12
Molecular Formula
C12H13N
Molecular Weight
171.24
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Racemic rasagiline
CAS Number1875-50-9
PubChem CID122316
IUPAC NameN-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#CCNC1CCC2=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
InChIKey
RUOKEQAAGRXIBM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Racemic rasagiline
CAS: 1875-50-9
CID: 122316
Formula: C12H13N
MW: 171.24
Interactive 3D Structure
Loading 3D structure...
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 Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes