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CHEBI:87648 - tolonium

Default Structure
ChEBI IDCHEBI:87648
ChEBI Nametolonium
Stars
DefinitionAn organic cation that is phenothiazin-5-ium substituted by methyl, amino and dimethylamino groups at positions 2, 3 and 7 respectively. The chloride salt is used as a histological dye.
Last Modified22 February 2017
SubmitterSteve
DownloadsMolfile
FormulaC15H16N3S
Net Charge+1
Average Mass270.381
Monoisotopic Mass270.10594
SMILESCc1cc2nc3ccc(N(C)C)cc3[s+]c2cc1N
InChIInChI=1S/C15H16N3S/c1-9-6-13-15(8-11(9)16)19-14-7-10(18(2)3)4-5-12(14)17-13/h4-8H,16H2,1-3H3/q+1
InChIKeyRQNADZJRELIICT-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
tolonium (CHEBI:87648) is a organic cation (CHEBI:25697)
Incoming Relation(s)
tolonium chloride (CHEBI:87647) has part tolonium (CHEBI:87648)
IUPAC Name 
3-amino-7-(dimethylamino)-2-methylphenothiazin-5-ium
Synonyms  Source
Tolonium cationChemIDplus
Tolonium ionChemIDplus
Manual XrefsDatabases
2701DrugCentral
Registry NumbersSources
Reaxys:3557567Reaxys
CAS:56109-24-1ChemIDplus