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CHEBI:52296 - To-Pro-1

ChEBI IDCHEBI:52296
ChEBI NameTo-Pro-1
Stars
DefinitionA C1 cyanine dye having benzothiazolium-2-yl and quinolinium-4-yl substituents.
Last Modified6 August 2009
SubmitterInma Spiteri
DownloadsMolfile
FormulaC24H29N3S.2I
Net Charge0
Average Mass645.392
Monoisotopic Mass645.01716
SMILES[H]C(=C1C=CN(CCC[N+](C)(C)C)c2ccccc21)c1sc2ccccc2[n+]1C.[I-].[I-]
InChIInChI=1S/C24H29N3S.2HI/c1-25-22-12-7-8-13-23(22)28-24(25)18-19-14-16-26(15-9-17-27(2,3)4)21-11-6-5-10-20(19)21;;/h5-8,10-14,16,18H,9,15,17H2,1-4H3;2*1H/q+2;;/p-2
InChIKeyDPXHITFUCHFTKR-UHFFFAOYSA-L
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
ChEBI Ontology
Outgoing Relation(s)
To-Pro-1 (CHEBI:52296) has part To-Pro-1(2+) (CHEBI:52927)
To-Pro-1 (CHEBI:52296) has role fluorochrome (CHEBI:51217)
To-Pro-1 (CHEBI:52296) is a cyanine dye (CHEBI:37960)
To-Pro-1 (CHEBI:52296) is a organic iodide salt (CHEBI:50356)
IUPAC Names 
4-[(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-[3-(trimethylammonio)propyl]quinolinium diiodide
3-methyl-2-({1-[3-(trimethylammonio)propyl]quinolin-4(1H)-ylidene}methyl)-1,3-benzothiazol-3-ium diiodide