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

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ChEBI Name 3,7-bis(dimethylamino)phenothiazin-5-ium ChEBI ID CHEBI:43830 Definition An 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'. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C16H18N3S Net Charge +1 Average Mass 284.40034 Monoisotopic Mass 284.12160 InChI InChI=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 InChIKey RBTBFTRPCNLSDE-UHFFFAOYSA-N SMILES CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C ChEBI Ontology Outgoing 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 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 cation ChEBI Manual Xrefs Databases 1763 DrugCentral DB08167 DrugBank LSM-4555 LINCS MBT PDBeChem View more database links Registry Numbers Types Sources 3594217 Beilstein Registry Number Beilstein 3594217 Reaxys Registry Number Reaxys Last Modified 22 February 2017