CAS Registry Number®
7220-79-3
CAS Name
Methylene blue trihydrate
Molecular Formula
C16H18N3S.Cl.3H2O
Other Names and Identifiers
InChI
InChI=1S/C16H18N3S.ClH.3H2O/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;1H;3*1H2/q+1;;;;/p-1
InChIKey
InChIKey=XQAXGZLFSSPBMK-UHFFFAOYSA-M
SMILES
N(C)(C)C1=CC2=C(N=C3C(=[S+]2)C=C(N(C)C)C=C3)C=C1.[Cl-].O
Canonical SMILES
[Cl-].O.N=1C2=CC=C(C=C2[S+]=C3C=C(C=CC13)N(C)C)N(C)C
Other Names for this Substance
- Phenothiazin-5-ium, 3,7-bis(dimethylamino)-, chloride, hydrate (1:1:3)
- C.I. Basic Blue 9, trihydrate
- Phenothiazin-5-ium, 3,7-bis(dimethylamino)-, chloride, trihydrate
- 3,7-Bis(dimethylamino)phenazathionium chloride trihydrate
- Methylene blue trihydrate
