Basic information
- CAS
85181-40-4- Standard SMILES
Cc1cc(C)cc(C(=O)OC2C[C@H]3CC[C@@H](C2)N3C)c1- InChIKey
HDDNYFLPWFSBLN-XYPWUTKMSA-N- Molecular formula
- C17H23NO2
- Average molar mass
- 273.37 g/mol
- Monoisotopic mass
- 273.17287898
Overview
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.
Names & identifiers
- Preferred name
- Tropanserin
- IUPAC
- [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3,5-dimethylbenzoate
- English name
- Tropanserin
- Molecular formula
- C17H23NO2
- Molecular weight
- 273.37
Names & synonyms
Tropanserin85181-40-4TropanserineTropanserinaTropyl 3,5-dimethylbenzoatetropanyl 3,5-dimethylbenzoateTropanserinumUNII-04B48I6VHRDTXSID0042618Tocris-0641TROPANSERIN [INN]04B48I6VHR
Show more names
(1R,5S)-Tropan-3α-ol 3,5-dimethylbenzoateendo-8-Methyl-8-azabicyclo(3.2.1)oct-3-yl 3,5-dimethylbenzoaterel-(1R,3r,5S)-8-Methyl-8-azabicyclo[3.2.1]octan-3-yl 3,5-dimethylbenzoate3,5-Dimethylbenzoic acid (1β,5β)-8-methyl-8-azabicyclo[3.2.1]octane-3α-yl esterBenzoic acid, 3,5-dimethyl-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl esterrel-(1R,3r,5S)-3,5-Dimethylbenzoic acid-8-methyl-8-azabicyclo[3,2,1]octan-3-yl ester
DTXCID8022618TROPANYL-3,5-DIMETHYLBENZOATE[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3,5-dimethylbenzoateBenzoic acid,3,5-dimethyl-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl esterMDL-72422Benzoic acid, 3,5-dimethyl-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, endo-Tropanserine [French]Tropanserinum [Latin]
Database identifiers
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 346
Physicochemical properties
- form
- Solid
- color
- Off-white to light yellow
- FDA UNII
- 4 B48I6VHR · 04B48I6VHR
Chemistry & industry
Applications
UsesSerotonin receptor antagonist (specific in migraine).
UsesTropanyl-3,5-dimethylbenzoate is a 5-HT3 receptor antagonist. Tropanserin is a drug and receptor antagonist used as a chemotherapeutic agent for potentially treating brain tumors.
Suppliers18 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
杭州宇昊化工科技有限公司0571-82693216 · [email protected]
南京百鑫德诺生物科技有限公司025-58849295 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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