3-Ethyl-2-[5-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzothiazole
Basic information
- CAS
7187-55-5- Standard SMILES
CCN1C(=CC=CC=Cc2sc3ccccc3[n+]2CC)Sc2ccccc21- InChIKey
FYXWDSGGZAMYFZ-UHFFFAOYSA-N- Molecular formula
- C23H23N2S2+
- Average molar mass
- 391.6 g/mol
- Monoisotopic mass
- 391.13026609
Overview
Dithiazanine is a highly potent anthelmintic, introduced in 1959 for the treatment of strongyloid worms and whipworms. However, its use is severely limited due to its toxicity. Dithiazanine iodide was associated with eight fatal cases of severe acidosis and shock between 1961 and 1964. Dithiazanine iodide has been withdrawn from the market in countries such as France in Italy, but it may remain available in others.
Names & identifiers
- Preferred name
- 3-Ethyl-2-[5-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzothiazole
- IUPAC
- 3-ethyl-2-[5-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzothiazole
Names & synonyms
SCHEMBL1567134CHEMBL11855683-ethyl-2-[5-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzothiazole3-ethyl-2-[5-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-1,3-benzothiazol-3-ium--iodide (1/1)
Database identifiers
- CAS
7187-55-5- PubChem CID
- 10579
- DTXSID
DTXSID0048264- ChEMBL
CHEMBL1185568
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 1
- Complexity
- 537
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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