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CHEBI:52929 - ToTo-1(4+)

ChEBI IDCHEBI:52929
ChEBI NameToTo-1(4+)
Stars
DefinitionThe tetracation of ToTo-1 dye.
Last Modified21 November 2019
SubmitterSteve
DownloadsMolfile
FormulaC49H58N6S2
Net Charge+4
Average Mass795.179
Monoisotopic Mass794.41424
SMILES[H]C(=C1Sc2ccccc2N1C)c1cc[n+](CCC[N+](C)(C)CCC[N+](C)(C)CCC[n+]2ccc(C([H])=C3Sc4ccccc4N3C)c3ccccc32)c2ccccc12
InChIInChI=1S/C49H58N6S2/c1-50-44-22-11-13-24-46(44)56-48(50)36-38-26-30-52(42-20-9-7-18-40(38)42)28-15-32-54(3,4)34-17-35-55(5,6)33-16-29-53-31-27-39(41-19-8-10-21-43(41)53)37-49-51(2)45-23-12-14-25-47(45)57-49/h7-14,18-27,30-31,36-37H,15-17,28-29,32-35H2,1-6H3/q+4
InChIKeyRUIOCPBCVXVVMB-UHFFFAOYSA-N
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
ChEBI Ontology
Outgoing Relation(s)
ToTo-1(4+) (CHEBI:52929) has role fluorochrome (CHEBI:51217)
ToTo-1(4+) (CHEBI:52929) is a benzothiazolium ion (CHEBI:52838)
ToTo-1(4+) (CHEBI:52929) is a cyanine dye (CHEBI:37960)
ToTo-1(4+) (CHEBI:52929) is a quaternary ammonium ion (CHEBI:35267)
ToTo-1(4+) (CHEBI:52929) is a quinolinium ion (CHEBI:52837)
Incoming Relation(s)
ToTo-1 (CHEBI:52298) has part ToTo-1(4+) (CHEBI:52929)
IUPAC Name 
1,1'-{propane-1,3-diylbis[(dimethylazaniumdiyl)propane-3,1-diyl]}bis{4-[(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]quinolinium}
Synonyms  Source
ToTo-1 cationChEBI
ToTo-1 tetracationChEBI
Manual XrefsDatabases
TOTPDBeChem
Citations