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CHEBI:64200 - carmoxirole

ChEBI IDCHEBI:64200
ChEBI Namecarmoxirole
Stars
DefinitionAn indolecarboxylic acid that is indole-5-carboxylic acid bearing an additional 4-(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)butyl substituent at position 3. Selective, peripherally acting dopamine D2 receptor agonist. Modulates noradrenalin release and sympathetic activation. Displays antihypertensive properties in vivo.
Last Modified25 February 2016
SubmitterSteve
DownloadsMolfile
FormulaC24H26N2O2
Net Charge0
Average Mass374.484
Monoisotopic Mass374.19943
SMILESO=C(O)c1ccc2ncc(CCCCN3CC=C(c4ccccc4)CC3)c2c1
InChIInChI=1S/C24H26N2O2/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)
InChIKeyAFSOIHMEOKEZJF-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
dopamine agonist  A drug that binds to and activates dopamine receptors.
Applications:
antihypertensive agent  Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
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.
ChEBI Ontology
Outgoing Relation(s)
carmoxirole (CHEBI:64200) has role antihypertensive agent (CHEBI:35674)
carmoxirole (CHEBI:64200) has role dopamine agonist (CHEBI:51065)
carmoxirole (CHEBI:64200) has role platelet aggregation inhibitor (CHEBI:50427)
carmoxirole (CHEBI:64200) is a indolecarboxylic acid (CHEBI:38610)
carmoxirole (CHEBI:64200) is a tertiary amino compound (CHEBI:50996)
carmoxirole (CHEBI:64200) is a tetrahydropyridine (CHEBI:26921)
carmoxirole (CHEBI:64200) is conjugate base of carmoxirole(1+) (CHEBI:64201)
Incoming Relation(s)
carmoxirole(1+) (CHEBI:64201) is conjugate acid of carmoxirole (CHEBI:64200)
IUPAC Name 
3-[4-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)butyl]-1H-indole-5-carboxylic acid
INNs  Source
carmoxirolChemIDplus
carmoxirolumChemIDplus
carmoxiroleChemIDplus
Synonym  Source
3-(4-(3,6-Dihydro-4-phenyl-1(2H)-pyridyl)butyl)indole-5-carboxylic acidChemIDplus
Manual XrefsDatabases
EP0548635Patent
DE3342632Patent
US5256673Patent
LSM-3850LINCS
Registry NumbersSources
Reaxys:5772553Reaxys
CAS:98323-83-2ChemIDplus
Citations