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CHEBI:188648 - 3,3',4',5-tetrachlorosalicylanilide

ChEBI IDCHEBI:188648
ChEBI Name3,3',4',5-tetrachlorosalicylanilide
Stars
DefinitionA salicylanilide derivative with chloride substituents at C-3 and C-5 of the salicylate moiety and at C-3 and C-4 of the anilide moiety.
Last Modified4 March 2019
DownloadsMolfile
FormulaC13H7Cl4NO2
Net Charge0
Average Mass351.016
Monoisotopic Mass348.92309
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C13H7Cl4NO2/c14-6-3-8(12(19)11(17)4-6)13(20)18-7-1-2-9(15)10(16)5-7/h1-5,19H,(H,18,20)
InChIKeySJQBHPJLLIJASD-UHFFFAOYSA-N
Roles Classification
Biological Role:
drug allergen  Any drug which causes the onset of an allergic reaction.
Application:
drug allergen  Any drug which causes the onset of an allergic reaction.
ChEBI Ontology
Outgoing Relation(s)
3,3',4',5-tetrachlorosalicylanilide (CHEBI:188648) has functional parent salicylanilide (CHEBI:239133)
3,3',4',5-tetrachlorosalicylanilide (CHEBI:188648) has role drug allergen (CHEBI:88188)
3,3',4',5-tetrachlorosalicylanilide (CHEBI:188648) is a dichlorobenzene (CHEBI:23697)
3,3',4',5-tetrachlorosalicylanilide (CHEBI:188648) is a salicylanilides (CHEBI:53468)
IUPAC Name 
3,5-dichloro-N-(3,4-dichlorophenyl)-2-hydroxybenzamide
Synonyms  Source
3,5-Dichloro-N-(3,4-dichloro-phenyl)-2-hydroxy-benzamideChEMBL
3,5-Dichlorosalicylic acid 3,4-dichloroanilideNIST Chemistry WebBook
TcsaNIST Chemistry WebBook
TCSAChemIDplus
3,3',4',5-TetrachlorosalicylanilideChemIDplus
3,5,3',4'-TetrachlorosalicylanilideChemIDplus
Registry NumbersSources
Reaxys:2153876Reaxys
CAS:1154-59-2NIST Chemistry WebBook
CAS:1154-59-2ChemIDplus
Citations