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Tropacine

CAT: 0013-GTR19241966-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19241966-01Size:10 mg
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Description
Tropacine is a small molecule compound used in research for studying motor function enhancement in Parkinson's disease models. Its application extends to both in vitro mechanistic studies and in vivo experiments in animal models of neurodegeneration.
CAS Number
6878-98-4
Smiles
C (C (O[C@H]1C[C@@]2 (N (C) [C@] (C1) (CC2) [H]) [H]) =O) (C3=CC=CC=C3) C4=CC=CC=C4
Molecular Formula
C22H25NO2
Molecular Weight
335.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tropacine

See also: Tropacine (annotation moved to).

CAS Number6878-98-4
PubChem CID120731
IUPAC Name[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2,2-diphenylacetate
Molecular FormulaC22H25NO2
Molecular Weight335.4
XLogP4.2
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity421
SMILES
CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H25NO2/c1-23-18-12-13-19(23)15-20(14-18)25-22(24)21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3/t18-,19+,20?
InChIKey
IUTYUDPWXQZWTH-YOFSQIOKSA-N
Chemical Structure
2D Structure
2D structure of Tropacine
CAS: 6878-98-4
CID: 120731
Formula: C22H25NO2
MW: 335.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight335.4
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass335.188529040
Monoisotopic Mass335.188529040
Topological Polar Surface Area29.5 Ų
Heavy Atom Count25
Formal Charge0
Complexity421
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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