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CHEBI:63978 - N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide

ChEBI IDCHEBI:63978
ChEBI NameN-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide
Stars
ASCII NameN-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide
DefinitionA hydrobromide salt prepared from N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol and one equivalent of hydrogen bromide. Selective dopamine D1-like receptor partial agonist (IC50 values are 19.7 and 2425 nM for binding to D1-like and D2-like receptors respectively). Centrally active following systemic administration in vivo.
Last Modified21 February 2012
SubmitterSteve
DownloadsMolfile
FormulaC19H21NO2.HBr
Net Charge0
Average Mass376.294
Monoisotopic Mass375.08339
SMILESBr.C=CCN1CCc2cc(O)c(O)cc2C(c2ccccc2)C1
InChIInChI=1S/C19H21NO2.BrH/c1-2-9-20-10-8-15-11-18(21)19(22)12-16(15)17(13-20)14-6-4-3-5-7-14;/h2-7,11-12,17,21-22H,1,8-10,13H2;1H
InChIKeyJWQRAXTWDYUBFI-UHFFFAOYSA-N
Roles Classification
Biological Role:
dopamine agonist  A drug that binds to and activates dopamine receptors.
Applications:
prodrug  A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug.
dopamine agonist  A drug that binds to and activates dopamine receptors.
ChEBI Ontology
Outgoing Relation(s)
N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide (CHEBI:63978) has part N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepinium-7,8-diol(1+) (CHEBI:63987)
N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide (CHEBI:63978) has role dopamine agonist (CHEBI:51065)
N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide (CHEBI:63978) has role prodrug (CHEBI:50266)
N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide (CHEBI:63978) is a hydrobromide (CHEBI:48367)
IUPAC Name 
1-phenyl-3-(prop-2-en-1-yl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol hydrobromide
Synonyms  Source
SKF 77434 hydrobromideChEBI
3-allyl-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol hydrobromideIUPAC
N-allyl-7,8-dihydroxy-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine hydrobromideChEBI
3-allyl-7,8-dihydroxy-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepinium bromideIUPAC
Registry NumbersSources
Reaxys:8658505Reaxys