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CHEBI:131804 - (S)-SKF 38393 hydrobromide

ChEBI IDCHEBI:131804
ChEBI Name(S)-SKF 38393 hydrobromide
Stars
ASCII Name(S)-SKF 38393 hydrobromide
DefinitionA hydrobromide obtained by combining (S)-SKF 38393 with one molar equivalent of hydrogen bromide.
Last Modified21 April 2016
SubmitterSteve
DownloadsMolfile
FormulaC16H17NO2.HBr
Net Charge0
Average Mass336.229
Monoisotopic Mass335.05209
SMILESBr.Oc1cc2c(cc1O)[C@H](c1ccccc1)CNCC2
InChIInChI=1S/C16H17NO2.BrH/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;1H/t14-;/m0./s1
InChIKeyINNWVRBZMBCEJI-UQKRIMTDSA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-SKF 38393 hydrobromide (CHEBI:131804) has part (S)-SKF 38393(1+) (CHEBI:131807)
(S)-SKF 38393 hydrobromide (CHEBI:131804) is a hydrobromide (CHEBI:48367)
(S)-SKF 38393 hydrobromide (CHEBI:131804) is enantiomer of (R)-SKF 38393 hydrobromide (CHEBI:131805)
Incoming Relation(s)
SKF 38393 hydrobromide (CHEBI:131802) has part (S)-SKF 38393 hydrobromide (CHEBI:131804)
(R)-SKF 38393 hydrobromide (CHEBI:131805) is enantiomer of (S)-SKF 38393 hydrobromide (CHEBI:131804)
IUPAC Names 
(1S)-7,8-dihydroxy-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium bromide
(1S)-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol hydrobromide
Synonyms  Source
(S)-SKF 38393.HBrChEBI
(S)-SKF-38393.HBrChEBI
(S)-SKF-38393 hydrobromideChEBI
Registry NumbersSources
Reaxys:10731612Reaxys