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CHEBI:52787 - dithiazanine

ChEBI IDCHEBI:52787
ChEBI Namedithiazanine
Stars
DefinitionA cationic C3-cyanine dye with 3-ethylbenzothiazol-2-yl groups at both ends.
Last Modified22 February 2017
SubmitterSteve
DownloadsMolfile
FormulaC23H23N2S2
Net Charge+1
Average Mass391.585
Monoisotopic Mass391.12972
SMILES[H]C(=C([H])C([H])=C1Sc2ccccc2N1CC)C([H])=C([H])c1sc2ccccc2[n+]1CC
InChIInChI=1S/C23H23N2S2/c1-3-24-18-12-8-10-14-20(18)26-22(24)16-6-5-7-17-23-25(4-2)19-13-9-11-15-21(19)27-23/h5-17H,3-4H2,1-2H3/q+1
InChIKeyFYXWDSGGZAMYFZ-UHFFFAOYSA-N
Roles Classification
Applications:
anthelminthic drug  Substance intended to kill parasitic worms (helminths).
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
dithiazanine (CHEBI:52787) has role anthelminthic drug (CHEBI:35443)
dithiazanine (CHEBI:52787) has role fluorochrome (CHEBI:51217)
dithiazanine (CHEBI:52787) is a benzothiazoles (CHEBI:37947)
dithiazanine (CHEBI:52787) is a benzothiazolium ion (CHEBI:52838)
Incoming Relation(s)
dithiazanine iodide (CHEBI:228275) has part dithiazanine (CHEBI:52787)
IUPAC Name 
3-ethyl-2-[5-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-1,3-benzothiazol-3-ium
Synonyms  Source
3,3'-diethylthiadicarbocyanineChEBI
DithiazanineChemIDplus
DithiazaninumChemIDplus
Manual XrefsDatabases
930DrugCentral
Registry NumbersSources
CAS:7187-55-5ChemIDplus