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

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ChEBI Name 1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol
ChEBI ID CHEBI:131801
ChEBI ASCII Name 1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C16H17NO2
Net Charge 0
Average Mass 255.312
Monoisotopic Mass 255.12593
InChI InChI=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
InChIKey JUDKOGFHZYMDMF-UHFFFAOYSA-N
SMILES C1CNCC(C2=C1C=C(C(=C2)O)O)C3=CC=CC=C3
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 (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
Last Modified
08 July 2016
General Comment
2016-04-21 This is the entry for the compound with unspecified stereochemistry. There are separate entries for the individual enantiomers [(R)-SKF 38393 and (S)-SKF 38393] and for the racemate.