Methylene Blue Trihydrate structure

Methylene Blue Trihydrate

[7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium;chloride;trihydrate

Also Known As: methylene blue|Methylene Blue trihydrate|methyleneblue|Basic blue 9|Provayblue|Lowacryl blue 9|Methylthionine chloride|Basic Blue 9 trihydrate|Provayblue (TN)|C.I. Basic Blue 9 trihydrate|Methylenium ceruleum|Methylene Blue hydrate|Methylene blue (USP)|Methylene blue [USP]|Methylthioninium chloride|Methylene Blue [USAN]|MethyleneBluetrihydrate|C.I. Basic Blue 9|C.I. Basic Blue 9, trihydrate|7220-79-3 (hdyrate)|Tetramethylthionine chloride|C.I. 52015 trihydrate|METHYLENE BLUE [II]|methylthioninium chloride hydrate|METHYLENE BLUE [HPUS]|METHYLENE BLUE [IARC]|Phenothiazin-5-ium, 3,7-bis(dimethylamino)-, chloride, trihydrate|METHYLENE BLUE [VANDF]|METHYLTHIONINE TRIHYDRATE|METHYLENE BLUE [USP-RS]|NC(1/4)x>>uA paragraph sign

CAS: 7220-79-3
Molecular Formula C16H24ClN3O3S
Molecular Weight 373.12268 g/mol
LogP -2.97
Topological Polar Surface Area 113.64 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 3
Rotatable Bonds 1
Exact Mass 373.12268
Heavy Atoms 24
Complexity 832.3

Chemical Identifiers

CAS Number 7220-79-3
SMILES CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.O.O.O.[Cl-]

Product Overview

Methylene Blue Trihydrate (CAS 7220-79-3), with molecular formula C16H24ClN3O3S and molecular weight 373.12268 g/mol. IUPAC: [7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium;chloride;trihydrate.

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