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

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ChEBI Name N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide
ChEBI ID CHEBI:63978
ChEBI ASCII Name N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C19H22BrNO2
Net Charge 0
Average Mass 376.28700
Monoisotopic Mass 375.083
InChI InChI=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
InChIKey JWQRAXTWDYUBFI-UHFFFAOYSA-N
SMILES Br.Oc1cc2CCN(CC=C)CC(c3ccccc3)c2cc1O
Roles Classification
Biological Role(s): dopamine agonist
A drug that binds to and activates dopamine receptors.
Application(s): dopamine agonist
A drug that binds to and activates dopamine receptors.
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.
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ChEBI Ontology
Outgoing 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 Sources
3-allyl-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol hydrobromide IUPAC
3-allyl-7,8-dihydroxy-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepinium bromide IUPAC
N-allyl-7,8-dihydroxy-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine hydrobromide ChEBI
SKF 77434 hydrobromide ChEBI
Registry Number Type Source
8658505 Reaxys Registry Number Reaxys
Last Modified
21 February 2012