EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:228275 - dithiazanine iodide

ChEBI IDCHEBI:228275
ChEBI Namedithiazanine iodide
Stars
Secondary ChEBI IDsCHEBI:51606, CHEBI:51900
Last Modified28 July 2014
SubmitterInma Spiteri
DownloadsMolfile
FormulaC23H23N2S2.I
Net Charge0
Average Mass518.489
Monoisotopic Mass518.03474
SMILES[H]C(=C([H])C([H])=C1Sc2ccccc2N1CC)C([H])=C([H])c1sc2ccccc2[n+]1CC.[I-]
InChIInChI=1S/C23H23N2S2.HI/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;1H/q+1;/p-1
InChIKeyMNQDKWZEUULFPX-UHFFFAOYSA-M
Wikipedia
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 iodide (CHEBI:228275) has part dithiazanine (CHEBI:52787)
dithiazanine iodide (CHEBI:228275) has role anthelminthic drug (CHEBI:35443)
dithiazanine iodide (CHEBI:228275) has role fluorochrome (CHEBI:51217)
dithiazanine iodide (CHEBI:228275) is a benzothiazoles (CHEBI:37947)
dithiazanine iodide (CHEBI:228275) is a organic iodide salt (CHEBI:50356)
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 iodide
INNs  Source
dithiazanini iodidumWHO MedNet
dithiazanine iodideWHO MedNet
iodure de dithiazanineWHO MedNet
ioduro de ditiazaninaWHO MedNet
Synonyms  Source
3,3'-Diethyl-2,2'-thiadicarbocyanine iodideChemIDplus
3,3'-Diethyldithiacarbodicyanine iodideChemIDplus
3,3'-Diethylpentamethinethiacyanine iodideChemIDplus
3,3'-Diethylthiadicarbocyanine iodideChemIDplus
(2-Bis(3-ethylbenzothiazolyl))pentamethine cyanine iodideChemIDplus
Diethylthiadicarbocyanine iodideChemIDplus
Manual XrefsDatabases
Dithiazanine_iodideWikipedia
C18391KEGG COMPOUND
Registry NumbersSources
Beilstein:3838938Beilstein
Reaxys:3838938Reaxys
CAS:514-73-8ChemIDplus
CAS:514-73-8KEGG COMPOUND