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CHEBI:64134 - 2-{[(2E)-3-iodoprop-2-en-1-yl](propyl)amino}tetralin-7-ol maleate

ChEBI IDCHEBI:64134
ChEBI Name2-{[(2E)-3-iodoprop-2-en-1-yl](propyl)amino}tetralin-7-ol maleate
Stars
ASCII Name2-{[(2E)-3-iodoprop-2-en-1-yl](propyl)amino}tetralin-7-ol maleate
DefinitionA maleate salt obtained by reaction of 2-{[(2E)-3-iodoprop-2-en-1-yl](propyl)amino}tetralin-7-ol with one equivalent of maleic acid. This ligand has uniquely high affinity and selectivity for the D3 receptor.
Last Modified9 March 2012
SubmitterSteve
DownloadsMolfile
FormulaC16H22INO.C4H4O4
Net Charge0
Average Mass487.334
Monoisotopic Mass487.08557
SMILESCCCN(C/C=C/I)C1CCc2ccc(O)cc2C1.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C16H22INO.C4H4O4/c1-2-9-18(10-3-8-17)15-6-4-13-5-7-16(19)12-14(13)11-15;5-3(6)1-2-4(7)8/h3,5,7-8,12,15,19H,2,4,6,9-11H2,1H3;1-2H,(H,5,6)(H,7,8)/b8-3+;2-1-
InChIKeyIQRDHLSQXOATHD-HBRCEPSSSA-N
Roles Classification
Biological Role:
dopamine agonist  A drug that binds to and activates dopamine receptors.
Application:
dopamine agonist  A drug that binds to and activates dopamine receptors.
ChEBI Ontology
Outgoing Relation(s)
2-{[(2E)-3-iodoprop-2-en-1-yl](propyl)amino}tetralin-7-ol maleate (CHEBI:64134) has part 2-{[(2E)-3-iodoprop-2-en-1-yl](propyl)ammonio}tetralin-7-ol(1+) (CHEBI:64138)
2-{[(2E)-3-iodoprop-2-en-1-yl](propyl)amino}tetralin-7-ol maleate (CHEBI:64134) has role dopamine agonist (CHEBI:51065)
2-{[(2E)-3-iodoprop-2-en-1-yl](propyl)amino}tetralin-7-ol maleate (CHEBI:64134) is a maleate salt (CHEBI:50221)
IUPAC Name 
7-{[(2E)-3-iodoprop-2-en-1-yl](propyl)amino}-5,6,7,8-tetrahydronaphthalen-2-ol (2Z)-but-2-enedioate
Synonyms  Source
7-hydroxy-PIPAT maleateChEBI
7-{[(2E)-3-iodoprop-2-en-1-yl](propyl)amino}-5,6,7,8-tetrahydronaphthalen-2-ol maleateChEBI
7-hydroxy-N-[(2E)-3-iodoprop-2-en-1-yl]-N-propyl-1,2,3,4-tetrahydronaphthalen-2-aminium (2Z)-3-carboxyacrylateIUPAC
2-{[(2E)-3-iodoallyl](propyl)amino}tetralin-7-ol maleateChEBI