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CHEBI:64199 - carmoxirole hydrochloride

ChEBI IDCHEBI:64199
ChEBI Namecarmoxirole hydrochloride
Stars
DefinitionA hydrochloride salt obtained by reaction of carmoxirole with one equivalent of hydrochloric acid. Selective, peripherally acting dopamine D2 receptor agonist. Modulates noradrenalin release and sympathetic activation. Displays antihypertensive properties in vivo.
Last Modified16 March 2012
SubmitterSteve
DownloadsMolfile
FormulaC24H26N2O2.HCl
Net Charge0
Average Mass410.945
Monoisotopic Mass410.17611
SMILESCl.O=C(O)c1ccc2ncc(CCCCN3CC=C(c4ccccc4)CC3)c2c1
InChIInChI=1S/C24H26N2O2.ClH/c27-24(28)20-9-10-23-22(16-20)21(17-25-23)8-4-5-13-26-14-11-19(12-15-26)18-6-2-1-3-7-18;/h1-3,6-7,9-11,16-17,25H,4-5,8,12-15H2,(H,27,28);1H
InChIKeyLRJUHOBITQUXIO-UHFFFAOYSA-N
Roles Classification
Biological Role:
dopamine agonist  A drug that binds to and activates dopamine receptors.
Applications:
dopamine agonist  A drug that binds to and activates dopamine receptors.
platelet aggregation inhibitor  A drug or agent which antagonizes or impairs any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
antihypertensive agent  Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
ChEBI Ontology
Outgoing Relation(s)
carmoxirole hydrochloride (CHEBI:64199) has part carmoxirole(1+) (CHEBI:64201)
carmoxirole hydrochloride (CHEBI:64199) has role antihypertensive agent (CHEBI:35674)
carmoxirole hydrochloride (CHEBI:64199) has role dopamine agonist (CHEBI:51065)
carmoxirole hydrochloride (CHEBI:64199) has role platelet aggregation inhibitor (CHEBI:50427)
carmoxirole hydrochloride (CHEBI:64199) is a hydrochloride (CHEBI:36807)
IUPAC Name 
3-[4-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)butyl]-1H-indole-5-carboxylic acid hydrochloride
Synonym  Source
1-[4-(5-carboxy-1H-indol-3-yl)butyl]-4-phenyl-1,2,3,6-tetrahydropyridinium chlorideIUPAC
Registry NumbersSources
Reaxys:5689787Reaxys