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CHEBI:87233 - lissamine flavine FF free acid

ChEBI IDCHEBI:87233
ChEBI Namelissamine flavine FF free acid
Stars
DefinitionA member of the class of benzoisoquinolines that is 1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-5-sulfonic acid substituted by 4-tolyl and amino groups at positions 2 and 6 respectively. The monosodium salt is the biological stain 'lissamine flavine FF'.
Last Modified12 July 2016
SubmitterSteve
DownloadsMolfile
FormulaC19H14N2O5S
Net Charge0
Average Mass382.397
Monoisotopic Mass382.06234
SMILESCc1ccc(N2C(=O)c3cccc4c(N)c(S(=O)(=O)O)cc(c34)C2=O)cc1
InChIInChI=1S/C19H14N2O5S/c1-10-5-7-11(8-6-10)21-18(22)13-4-2-3-12-16(13)14(19(21)23)9-15(17(12)20)27(24,25)26/h2-9H,20H2,1H3,(H,24,25,26)
InChIKeyNISZMWZPLJGKCC-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)
lissamine flavine FF free acid (CHEBI:87233) is a arenesulfonic acid (CHEBI:33555)
lissamine flavine FF free acid (CHEBI:87233) is a aromatic amine (CHEBI:33860)
lissamine flavine FF free acid (CHEBI:87233) is a benzoisoquinoline (CHEBI:39200)
lissamine flavine FF free acid (CHEBI:87233) is a dicarboximide (CHEBI:35356)
lissamine flavine FF free acid (CHEBI:87233) is conjugate acid of lissamine flavine FF(1−) (CHEBI:87231)
Incoming Relation(s)
lissamine flavine FF(1−) (CHEBI:87231) is conjugate base of lissamine flavine FF free acid (CHEBI:87233)
IUPAC Name 
6-amino-2-(4-methylphenyl)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-5-sulfonic acid
Registry NumbersSources
Reaxys:353863Reaxys