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Tropatepine

CAT: 0572-TRC-T386850-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T386850-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
27574-24-9
Synonyms
Tropatepine; 8-Azabicyclo[3.2.1]octane, 3-dibenzo[b,e]thiepin-11(6H)-ylidene-8-methyl-; 1αH,5αH-Tropane, 3-dibenzo[b,e]thiepin-11(6H)-ylidene- (8CI); 3-(Dibenzo[b,e]thiepin-11(6H)-ylidene)-8-methyl-8-azabicyclo[3.2.1]octane; Dibenzo[b,e]thiepin, 8-azabicyclo[3.2.1]oct
Hazard Statement
No Data Available
Smiles
CN1[C@@H]2CC[C@H]1C\C(=C\3/c4ccccc4CSc5ccccc35)\C2
Molecular Formula
C22 H23 N S
Molecular Weight
333.49
InChI
InChI=1S/C22H23NS/c1-23-17-10-11-18(23)13-16(12-17)22-19-7-3-2-6-15(19)14-24-21-9-5-4-8-20(21)22/h2-9,17-18H,10-14H2,1H3/b22-16-/t17-,18+/m0/s1
Additionnal Information
IUPAC name: (1S,5R)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)-8-methyl-8-azabicyclo[3.2.1]octane
Shipping Conditions
Room Temperature

Chemical Information

Tropatepine

Tropatepine has been used in France for its antiparkinsons activities.

CAS Number27574-24-9
PubChem CID3034047
IUPAC Name(1R,5S)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)-8-methyl-8-azabicyclo[3.2.1]octane
Molecular FormulaC22H23NS
Molecular Weight333.5
XLogP4.8
Topological Polar Surface Area28.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count24
Formal Charge0
Complexity496
SMILES
CN1[C@@H]2CC[C@H]1CC(=C3C4=CC=CC=C4CSC5=CC=CC=C53)C2
InChI
InChI=1S/C22H23NS/c1-23-17-10-11-18(23)13-16(12-17)22-19-7-3-2-6-15(19)14-24-21-9-5-4-8-20(21)22/h2-9,17-18H,10-14H2,1H3/t17-,18+
InChIKey
JOQKFRLFXDPXHX-HDICACEKSA-N
Chemical Structure
2D Structure
2D structure of Tropatepine
CAS: 27574-24-9
CID: 3034047
Formula: C22H23NS
MW: 333.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight333.5
XLogP34.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass333.15512091
Monoisotopic Mass333.15512091
Topological Polar Surface Area28.5 Ų
Heavy Atom Count24
Formal Charge0
Complexity496
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

Alternative Products

CatalogName
AR-T00899-01Tropatepine
AR-T00897-01Tropatepine Sulfoxide
CS-T-103795Tropatepine-Â1Â3CD₃
AR-T00898-01Tropatepine-13C D3
AR-T06084-01Tropatepine Impurity 1 (Mixture of Diastereomers)

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