Methylene Blue cation

Base Information

• Chemical Name: Methylene Blue cation
• CAS No.: 7060-82-4
• Molecular Formula: C16H18 N3 S
• UNII: ZMZ79891ZH
• DSSTox Substance ID: DTXSID3047009
• Nikkaji Number: J231.678A,J238.110I
• Wikidata: Q27097395
• RXCUI: 1546414
• Pharos Ligand ID: RT814RHG5L5D
• Metabolomics Workbench ID: 56527
• ChEMBL ID: CHEMBL191083
• Mol file: 7060-82-4.mol

Synonyms:Methylene Blue cation;Methylthioninium;3,7-bis(dimethylamino)phenothiazin-5-ium;7060-82-4;[7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium;proveblue;UNII-ZMZ79891ZH;ZMZ79891ZH;CHEBI:43830;N-[7-(dimethylamino)-3H-phenothiazin-3-ylidene]-N-methylmethanaminium;aizen methylene blue;AI3-52463;Phenothiazin-5-ium, 3,7-bis(dimethylamino)-;Methylthionine chloride;methylthioninium chloratum;CHEMBL405110;methylthioninium chloride hydrate;C16-H18-N3-S.Cl;NSC3089;methylthioninium benzalkonium chloride hydrate;NSC215213;NCGC00167496-01;NCGC00167496-03;methylene-blue;Methylthionine HCl;D05CCT;cid_6099;SCHEMBL109755;CHEMBL191083;DTXSID3047009;METHYLTHIONINIUM [WHO-DD];RBTBFTRPCNLSDE-UHFFFAOYSA-N;DNDI1417128;BDBM50241461;BDBM50434369;STK391059;STL483851;AKOS001482930;METHYLENE BLUE CHLORIDE HYDRATE;DB08167;NCGC00159445-02;NCGC00167496-02;SBI-0206846.P001;3,7-bis(dimethylamino)-phenothiazin-5-ium;LS-187079;AB00443236_03;3-(Dimethyliminio)-7-(dimethylamino)-3H-phenothiazine;BRD-K16406336-311-01-2;Q27097395;[7-(dimethylamino)phenothiazin-3-ylidene]-dimethyl-ammonium;7-(Dimethylamino)-N,N-dimethyl-3H-phenothiazin-3-iminium;1001913-24-1

Chemical Property of Methylene Blue cation

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 284.12214376
• Heavy Atom Count: 20
• Complexity: 483

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2
• Recent ClinicalTrials: Clinical Assessment of Urinary Antiseptics Methenamine and Methylthioninium in Recurrent Cystitis
• Recent EU Clinical Trials: A Double-Blind, Placebo-Controlled, Randomised, 4-Week Safety and Tolerability Study