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CHEBI:63988 - N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol

ChEBI IDCHEBI:63988
ChEBI NameN-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol
Stars
ASCII NameN-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol
DefinitionA benzazepine that is 2,3,4,5-tetrahydro-3-benzazepine bearing a phenyl substituent at position 1, an allyl substituent at position 3 and two hydroxy substituents at positions 7 and 8. 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 Modified24 February 2016
SubmitterSteve
DownloadsMolfile
FormulaC19H21NO2
Net Charge0
Average Mass295.382
Monoisotopic Mass295.15723
SMILESC=CCN1CCc2cc(O)c(O)cc2C(c2ccccc2)C1
InChIInChI=1S/C19H21NO2/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
InChIKeyQBUVZVXIRYFENV-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
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)
N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol (CHEBI:63988) has role dopamine agonist (CHEBI:51065)
N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol (CHEBI:63988) is a benzazepine (CHEBI:35676)
N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol (CHEBI:63988) is a catechols (CHEBI:33566)
N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol (CHEBI:63988) is a tertiary amino compound (CHEBI:50996)
N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol (CHEBI:63988) is conjugate base of N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepinium-7,8-diol(1+) (CHEBI:63987)
Incoming Relation(s)
N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepinium-7,8-diol(1+) (CHEBI:63987) is conjugate acid of N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol (CHEBI:63988)
IUPAC Name 
1-phenyl-3-prop-2-en-1-yl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol
Synonyms  Source
SKF 77434ChEBI
SK&F 77434ChemIDplus
3-allyl-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diolIUPAC
N-allyl-7,8-dihydroxy-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepineChEBI
3-Allyl-2,3,4,5-tetrahydro-7,8-dihydroxy-1-phenyl-1H-3-benzazepineChemIDplus
Skf-77434ChemIDplus
Manual XrefsDatabases
SKF-77434Wikipedia
LSM-1702LINCS
Registry NumbersSources
Reaxys:1546935Reaxys
CAS:104422-04-0ChemIDplus