Basic information
- CAS
56109-24-1- Standard SMILES
Cc1cc2nc3ccc(=[N+](C)C)cc-3sc2cc1N- InChIKey
KZEUBCUXBNEMSQ-UHFFFAOYSA-O- Molecular formula
- C15H16N3S+
- Average molar mass
- 270.4 g/mol
- Monoisotopic mass
- 270.1064937
Overview
Tolonium is an organic cation that is phenothiazin-5-ium substituted by methyl, amino and dimethylamino groups at positions 2, 3 and 7 respectively. The chloride salt is used as a histological dye.
Names & identifiers
- Preferred name
- Tolonium
- IUPAC
- (7-amino-8-methylphenothiazin-3-ylidene)-dimethylazanium
Names & synonyms
ToloniumTolonium cationTolonium ion56109-24-1Phenothiazin-5-ium, 3-amino-7-(dimethylamino)-2-methyl-TOLONIUM [WHO-DD]CHEBI:87648RefChem:898547BluteneUNII-P3Y6XJA2D1P3Y6XJA2D13-Amino-7-(dimethylamino)-2-methylphenothiazin-5-ium
Show more names
(7-amino-8-methylphenothiazin-3-ylidene)-dimethylazaniumMLS000738130NSC11225NCGC00181775-01SMR000393892SCHEMBL460238SCHEMBL2626791CHEMBL1622638
Database identifiers
- CAS
56109-24-1、92-31-9- PubChem CID
- 7084
- DTXSID
DTXSID50859161- ChEMBL
CHEMBL1622638- ChEBI
CHEBI:87648- UNII
- P3Y6XJA2D1
- Nikkaji
- J209.377D
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 66.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 1
- Complexity
- 511
Experimental & physicochemical properties
DrugsPharmaceuticals
Chemistry & industry
Uses & manufacturing
UsesUse (kg; approx.) in Germany (2009): >25
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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