MBT
Summary
| Name: | 3,7-BIS(DIMETHYLAMINO)PHENOTHIAZIN-5-IUM |
| Synonyms: | METHYLENE BLUE |
| Formula: | C16 H18 N3 S |
| Formal charge: | 1 |
| Formula weight: | 284.399 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3,7-bis(dimethylamino)phenothiazin-5-ium |
| OpenEye OEToolkits | 1.5.0 | N,N,N',N'-tetramethylphenothiazin-5-ium-3,7-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [s+]1c3c(nc2c1cc(cc2)N(C)C)ccc(N(C)C)c3 |
| SMILES_CANONICAL | CACTVS | 3.341 | CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C |
| SMILES | CACTVS | 3.341 | CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN(C)c1ccc2c(c1)[s+]c3cc(ccc3n2)N(C)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CN(C)c1ccc2c(c1)[s+]c3cc(ccc3n2)N(C)C |
| InChI | InChI | 1.03 | 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 |
| InChIKey | InChI | 1.03 | RBTBFTRPCNLSDE-UHFFFAOYSA-N |
