EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:131796 - (S)-SKF 38393

ChEBI IDCHEBI:131796
ChEBI Name(S)-SKF 38393
Stars
ASCII Name(S)-SKF 38393
DefinitionA 1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol that is the S-enantiomer of SKF 38393.
Last Modified12 April 2021
SubmitterSteve
DownloadsMolfile
FormulaC16H17NO2
Net Charge0
Average Mass255.317
Monoisotopic Mass255.12593
SMILESOc1cc2c(cc1O)[C@H](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/t14-/m0/s1
InChIKeyJUDKOGFHZYMDMF-AWEZNQCLSA-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)
(S)-SKF 38393 (CHEBI:131796) is a 1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol (CHEBI:131801)
(S)-SKF 38393 (CHEBI:131796) is conjugate base of (S)-SKF 38393(1+) (CHEBI:131807)
(S)-SKF 38393 (CHEBI:131796) is enantiomer of (R)-SKF 38393 (CHEBI:131800)
Incoming Relation(s)
SKF 38393 (CHEBI:131793) has part (S)-SKF 38393 (CHEBI:131796)
(S)-SKF 38393(1+) (CHEBI:131807) is conjugate acid of (S)-SKF 38393 (CHEBI:131796)
(R)-SKF 38393 (CHEBI:131800) is enantiomer of (S)-SKF 38393 (CHEBI:131796)
IUPAC Name 
(1S)-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol
Synonyms  Source
(S)-SKF-38393ChEBI
(1S)-2,3,4,5-tetrahydro-1-phenyl-1H-3-benzazepine-7,8-diolChemIDplus
Registry NumbersSources
Reaxys:5287503Reaxys
CAS:81702-43-4ChemIDplus
Citations