Methylene blue

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Systematic / IUPAC Name: 7-(Dimethylamino)-N,N-dimethyl-3H-phenothiazin-3-iminium

ID: Reference807

Other Names: Methanaminium, N-[7-(dimethylamino)-3H-phenothiazin-3-ylidene]-N-methyl-;
3,7-Bis(dimethylamino)phenothiazin-5-ium;
3H-Phenothiazine, 7-(dimethylamino)-3-(methylimino), 3-methochloride;
Phenothiazin-5-ium, 3,7-bis (dimethylamino),

Formula: C16H18N3S+

Class: Industrial Chemicals

Spectral Data

Methylene blue mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 190
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/11/2015 9:42:20 AM
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Identificators

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
InChI Key RBTBFTRPCNLSDE-UHFFFAOYSA-N
Canonical SMILES CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2
CAS 61734
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Other Names Methanaminium, N-[7-(dimethylamino)-3H-phenothiazin-3-ylidene]-N-methyl-;
3,7-Bis(dimethylamino)phenothiazin-5-ium;
3H-Phenothiazine, 7-(dimethylamino)-3-(methylimino), 3-methochloride;
Phenothiazin-5-ium, 3,7-bis (dimethylamino),

In Other Databases

PubChem 4139
ChEBI CHEBI:43830
ChemSpider 3996
ChEMBL CHEMBL191083
Wikipedia Methylene blue