CHEBI:3049 - benzatropine mesylate

ChEBI IDCHEBI:3049
ChEBI Namebenzatropine mesylate
Stars
DefinitionThe methanesulfonate salt of benzatropine. An acetylcholine receptor antagonist, it is used in the treatment of Parkinson's disease, and to reduce parkinsonism and akathisia side effects of antipsychotic treatments.
Last Modified23 April 2020
DownloadsMolfile
FormulaC21H26NO.CH3O3S
Net Charge0
Average Mass403.544
Monoisotopic Mass403.18173
SMILESCS(=O)(=O)[O-].[H][C@@]1(OC(c2ccccc2)c2ccccc2)C[C@]2([H])CC[C@]([H])(C1)[NH+]2C
InChIInChI=1S/C21H25NO.CH4O3S/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17;1-5(2,3)4/h2-11,18-21H,12-15H2,1H3;1H3,(H,2,3,4)/t18-,19+,20+;
InChIKeyCPFJLLXFNPCTDW-BWSPSPBFSA-N
Roles Classification
Biological Roles:
anticoronaviral agent  Any antiviral agent which inhibits the activity of coronaviruses.
parasympatholytic  Any cholinergic antagonist that inhibits the actions of the parasympathetic nervous system. The major group of drugs used therapeutically for this purpose is the muscarinic antagonists.
Applications:
parasympatholytic  Any cholinergic antagonist that inhibits the actions of the parasympathetic nervous system. The major group of drugs used therapeutically for this purpose is the muscarinic antagonists.
antiparkinson drug  A drug used in the treatment of Parkinson's disease.
ChEBI Ontology
Outgoing Relation(s)
benzatropine mesylate (CHEBI:3049) has part benzatropine (CHEBI:3048)
benzatropine mesylate (CHEBI:3049) has role anticoronaviral agent (CHEBI:149553)
benzatropine mesylate (CHEBI:3049) has role antiparkinson drug (CHEBI:48407)
benzatropine mesylate (CHEBI:3049) has role parasympatholytic (CHEBI:50370)
benzatropine mesylate (CHEBI:3049) is a methanesulfonate salt (CHEBI:38037)
IUPAC Name 
(3-endo)-3-(diphenylmethoxy)-8-methyl-8-azabicyclo[3.2.1]octane methanesulfonate
Synonyms  Source
benztropine mesilateKEGG DRUG
benztropine mesylateKEGG DRUG
benzatropine methanesulfonateChemIDplus
3-diphenylmethoxytropane mesylateChemIDplus
3-diphenylmethoxytropane methanesulfonateChemIDplus
benztropine methanesulfonateChEBI
Manual XrefsDatabases
D00778KEGG DRUG
DB00245DrugBank
US2595405Patent
Registry NumbersSources
Beilstein:3826475Beilstein
CAS:132-17-2KEGG DRUG
CAS:132-17-2ChemIDplus