CHEBI:2739 - anisotropine methylbromide

ChEBI IDCHEBI:2739
ChEBI Nameanisotropine methylbromide
Stars
DefinitionA quaternary ammonium salt resulting from the reaction of the amino group of anisotropine with methyl bromide.
Last Modified22 February 2017
DownloadsMolfile
FormulaBr.C17H32NO2
Net Charge0
Average Mass362.352
Monoisotopic Mass361.16164
SMILESCCCC(CCC)C(=O)OC1CC2CCC(C1)[N+]2(C)C.[Br-]
InChIInChI=1S/C17H32NO2.BrH/c1-5-7-13(8-6-2)17(19)20-16-11-14-9-10-15(12-16)18(14,3)4;/h13-16H,5-12H2,1-4H3;1H/q+1;/p-1
InChIKeyQSFKGMJOKUZAJM-UHFFFAOYSA-M
Roles Classification
Biological Roles:
muscarinic antagonist  A drug that binds to but does not activate muscarinic cholinergic receptors, thereby blocking the actions of endogenous acetylcholine or exogenous agonists.
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:
muscarinic antagonist  A drug that binds to but does not activate muscarinic cholinergic receptors, thereby blocking the actions of endogenous acetylcholine or exogenous agonists.
anti-ulcer drug  One of various classes of drugs with different action mechanisms used to treat or ameliorate peptic ulcer or irritation of the gastrointestinal tract.
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.
ChEBI Ontology
Outgoing Relation(s)
anisotropine methylbromide (CHEBI:2739) has role anti-ulcer drug (CHEBI:49201)
anisotropine methylbromide (CHEBI:2739) has role muscarinic antagonist (CHEBI:48876)
anisotropine methylbromide (CHEBI:2739) has role parasympatholytic (CHEBI:50370)
anisotropine methylbromide (CHEBI:2739) is a organic bromide salt (CHEBI:48369)
anisotropine methylbromide (CHEBI:2739) is a quaternary ammonium salt (CHEBI:35273)
IUPAC Name 
8,8-dimethyl-3-[(2-propylpentanoyl)oxy]-8-azoniabicyclo[3.2.1]octane bromide
INNs  Source
octatropine methylbromideWHO MedNet
octatropini methylbromidumWHO MedNet
méthylbromure d'octatropineWHO MedNet
metilbromuro de octatropinaWHO MedNet
Synonyms  Source
Anisotropine methylbromideKEGG COMPOUND
Methyloctatropine bromideKEGG COMPOUND
8-Methyl-3-(2-propylpentanoyloxy)tropinium bromideChemIDplus
8-Methyltropinium bromide 2-propylpentanoateChemIDplus
8-Methyltropinium bromide 2-propylvalerateChemIDplus
Anisotropine methobromideChemIDplus
Manual XrefsDatabases
C06830KEGG COMPOUND
D00232KEGG DRUG
DB00517DrugBank
US2962499Patent
Registry NumbersSources
Reaxys:4059741Reaxys
CAS:80-50-2ChemIDplus