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CHEBI:131801 - 1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol

ChEBI IDCHEBI:131801
ChEBI Name1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol
Stars
ASCII Name1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol
DefinitionA benzazepine that is 2,3,4,5-tetrahydro-3-benzazepine bearing a phenyl substituent at position 1 and two hydroxy substituents at positions 7 and 8.
Last Modified8 July 2016
SubmitterSteve
DownloadsMolfile
FormulaC16H17NO2
Net Charge0
Average Mass255.317
Monoisotopic Mass255.12593
SMILESOc1cc2c(cc1O)C(c1ccccc1)CNCC2
InChIInChI=1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,17-19H,6-7,10H2
InChIKeyJUDKOGFHZYMDMF-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol (CHEBI:131801) is a benzazepine (CHEBI:35676)
1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol (CHEBI:131801) is a catechols (CHEBI:33566)
1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol (CHEBI:131801) is a secondary amino compound (CHEBI:50995)
Incoming Relation(s)
(R)-SKF 38393 (CHEBI:131800) is a 1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol (CHEBI:131801)
(S)-SKF 38393 (CHEBI:131796) is a 1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol (CHEBI:131801)
IUPAC Name 
1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol