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CHEBI:748702 - methylene blue cation

Default Structure
ChEBI IDCHEBI:748702
ChEBI Namemethylene blue cation
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC16H18N3S
Net Charge+1
Average Mass284.408
Monoisotopic Mass284.12159
SMILESCN(C)c1ccc2nc3ccc(=[N+](C)C)cc-3sc2c1
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
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
methylene blue cation (CHEBI:748702) is a benzothiazine (CHEBI:46899)
Synonym  Source
Dndi1417128ChEMBL
Citations