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Tropanserin 10mg

CAT: 0628-A13767-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A13767-10Size:10 mg
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CAS Number
85181-40-4

Chemical Information

Tropanserin

Tropanyl 3,5-dimethylbenzoate is a tropane alkaloid that consists of tropine in which the hydrogen of the hydroxy function is substituted by a 3,5-dimethylbenzoyl group. It has a role as a serotonergic antagonist. It is a benzoate ester and a tropane alkaloid. It is functionally related to a tropine.

CAS Number85181-40-4
PubChem CID68600
IUPAC Name[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3,5-dimethylbenzoate
Molecular FormulaC17H23NO2
Molecular Weight273.37
XLogP3.7
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity346
SMILES
CC1=CC(=CC(=C1)C(=O)OC2C[C@H]3CC[C@@H](C2)N3C)C
InChI
InChI=1S/C17H23NO2/c1-11-6-12(2)8-13(7-11)17(19)20-16-9-14-4-5-15(10-16)18(14)3/h6-8,14-16H,4-5,9-10H2,1-3H3/t14-,15+,16?
InChIKey
HDDNYFLPWFSBLN-XYPWUTKMSA-N
Chemical Structure
2D Structure
2D structure of Tropanserin
CAS: 85181-40-4
CID: 68600
Formula: C17H23NO2
MW: 273.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight273.37
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass273.172878976
Monoisotopic Mass273.172878976
Topological Polar Surface Area29.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity346
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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