CHEBI:50190 - deptropine citrate

ChEBI IDCHEBI:50190
ChEBI Namedeptropine citrate
Stars
DefinitionA citrate salt that is the dihydrogen citrate salt of deptropamine.
Last Modified9 May 2011
SubmitterInma Spiteri
DownloadsMolfile
FormulaC23H27NO.C6H8O7
Net Charge0
Average Mass525.598
Monoisotopic Mass525.23627
SMILESCN1[C@@H]2CC[C@H]1C[C@@H](OC1c3ccccc3CCc3ccccc31)C2.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C23H27NO.C6H8O7/c1-24-18-12-13-19(24)15-20(14-18)25-23-21-8-4-2-6-16(21)10-11-17-7-3-5-9-22(17)23;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-9,18-20,23H,10-15H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t18-,19+,20+;
InChIKeyCHQGYMXXKZPWOI-BWSPSPBFSA-N
Roles Classification
Biological Roles:
H1-receptor antagonist  H1-receptor antagonists are the drugs that selectively bind to but do not activate histamine H1 receptors, thereby blocking the actions of endogenous histamine.
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:
H1-receptor antagonist  H1-receptor antagonists are the drugs that selectively bind to but do not activate histamine H1 receptors, thereby blocking the actions of endogenous histamine.
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.
ChEBI Ontology
Outgoing Relation(s)
deptropine citrate (CHEBI:50190) has part deptropine (CHEBI:50189)
deptropine citrate (CHEBI:50190) has role H1-receptor antagonist (CHEBI:37955)
deptropine citrate (CHEBI:50190) has role muscarinic antagonist (CHEBI:48876)
deptropine citrate (CHEBI:50190) has role parasympatholytic (CHEBI:50370)
deptropine citrate (CHEBI:50190) is a citrate salt (CHEBI:50744)
IUPAC Name 
(3-endo)-3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yloxy)-8-methyl-8-azabicyclo[3.2.1]octane 2-hydroxypropane-1,2,3-tricarboxylate
Synonyms  Source
DeptrinChemIDplus
Dibenzheptropine citrateChemIDplus
BrontinaChemIDplus
deptropine dihydrogen citrateChemIDplus
Brand Name  Source
Deptropine FNAKEGG DRUG
Manual XrefsDatabases
D07790KEGG DRUG
Registry NumbersSources
Reaxys:4106261Reaxys
CAS:2169-75-7ChemIDplus