CHEBI:52296 - To-Pro-1

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ChEBI Name To-Pro-1
ChEBI ID CHEBI:52296
Definition A C1 cyanine dye having benzothiazolium-2-yl and quinolinium-4-yl substituents.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C24H29I2N3S
Net Charge 0
Average Mass 645.38100
Monoisotopic Mass 645.01716
InChI InChI=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
InChIKey DPXHITFUCHFTKR-UHFFFAOYSA-L
SMILES [I-].[I-].[H]C(=C1C=CN(CCC[N+](C)(C)C)c2ccccc12)c1sc2ccccc2[n+]1C
Roles Classification
Application(s): fluorochrome
A fluorescent dye used to stain biological specimens.
dye

(via cyanine dye )
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ChEBI Ontology
Outgoing 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
3-methyl-2-({1-[3-(trimethylammonio)propyl]quinolin-4(1H)-ylidene}methyl)-1,3-benzothiazol-3-ium diiodide
4-[(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-[3-(trimethylammonio)propyl]quinolinium diiodide
Last Modified
06 August 2009