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CHEBI:87680 - 3,7-bis(dimethylamino)-4-nitrophenothiazin-5-ium

ChEBI IDCHEBI:87680
ChEBI Name3,7-bis(dimethylamino)-4-nitrophenothiazin-5-ium
Stars
DefinitionAn organic cation that is phenothiazin-5-ium substituted by dimethylamino groups at positions 3 and 7 as well as a nitro group at position 4. The chloride salt is the histological dye 'methylene green'.
Last Modified27 August 2015
SubmitterSteve
DownloadsMolfile
FormulaC16H17N4O2S
Net Charge+1
Average Mass329.405
Monoisotopic Mass329.10667
SMILESCN(C)c1ccc2nc3ccc(N(C)C)c([N+](=O)[O-])c3[s+]c2c1
InChIInChI=1S/C16H17N4O2S/c1-18(2)10-5-6-11-14(9-10)23-16-12(17-11)7-8-13(19(3)4)15(16)20(21)22/h5-9H,1-4H3/q+1
InChIKeyJICGHBSILZBPAI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3,7-bis(dimethylamino)-4-nitrophenothiazin-5-ium (CHEBI:87680) is a organic cation (CHEBI:25697)
Incoming Relation(s)
methylene green (CHEBI:87675) has part 3,7-bis(dimethylamino)-4-nitrophenothiazin-5-ium (CHEBI:87680)
IUPAC Name 
3,7-bis(dimethylamino)-4-nitrophenothiazin-5-ium
Registry NumbersSources
Reaxys:3914713Reaxys