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(3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 3,5-dimethylbenzoate

(3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 3,5-dimethylbenzoate structure

CAS No:
85181-40-4
Formula:
C17H23NO2
Chemical Name:
(3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 3,5-dimethylbenzoate
Synonyms:
Benzoic acid,3,5-dimethyl-,(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester;Benzoic acid,3,5-dimethyl-,8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester,endo-;(3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 3,5-dimethylbenzoate;Tropanserin;MDL 72422

Description

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 tropane alkaloid and a benzoate ester. It derives from a tropine.

(3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 3,5-dimethylbenzoate Basic Attributes

Molecular Weight：

273.37 g/mol

Exact Mass：

273.37

UNII：

04B48I6VHR

DSSTox ID：

DTXSID0042618

Characteristics

PSA：

29.5 Å²

Computed Properties

Molecular Weight:273.37
XLogP3:3.7
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:273.172878976
Monoisotopic Mass:273.172878976
Topological Polar Surface Area:29.5
Heavy Atom Count:20
Complexity:346
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 3,5-dimethylbenzoate

Description
Basic Attributes
Characteristics
Computed Properties
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