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CHEBI:43830 - 3,7-bis(dimethylamino)phenothiazin-5-ium

ChEBI IDCHEBI:43830
ChEBI Name3,7-bis(dimethylamino)phenothiazin-5-ium
Stars
DefinitionAn organic cation that is phenothiazin-5-ium substituted by dimethylamino groups at positions 3 and 7. The chloride salt is the histological dye 'methylene blue'.
Last Modified22 February 2017
DownloadsMolfile
FormulaC16H18N3S
Net Charge+1
Average Mass284.408
Monoisotopic Mass284.12159
SMILESCN(C)c1ccc2nc3ccc(N(C)C)cc3[s+]c2c1
InChIInChI=1S/C16H18N3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13/h5-10H,1-4H3/q+1
InChIKeyRBTBFTRPCNLSDE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3,7-bis(dimethylamino)phenothiazin-5-ium (CHEBI:43830) is a organic cation (CHEBI:25697)
3,7-bis(dimethylamino)phenothiazin-5-ium (CHEBI:43830) is conjugate acid of 3,7-bis(dimethylamino)phenothiazine (CHEBI:78523)
Incoming Relation(s)
methylene blue (CHEBI:6872) has part 3,7-bis(dimethylamino)phenothiazin-5-ium (CHEBI:43830)
3,7-bis(dimethylamino)phenothiazine (CHEBI:78523) is conjugate base of 3,7-bis(dimethylamino)phenothiazin-5-ium (CHEBI:43830)
IUPAC Name 
3,7-bis(dimethylamino)phenothiazin-5-ium
Synonym  Source
methylene blue cationChEBI
Manual XrefsDatabases
DB08167DrugBank
MBTPDBeChem
LSM-4555LINCS
1763DrugCentral
Registry NumbersSources
Reaxys:3594217Reaxys