CHEBI:52220 - PoPo-3

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ChEBI Name PoPo-3
ChEBI ID CHEBI:52220
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C45H58I4N6O2
Net Charge 0
Average Mass 1222.59890
Monoisotopic Mass 1222.08001
InChI InChI=1S/C45H58N6O2.4HI/c1-46-40-18-7-9-20-42(40)52-44(46)22-11-16-38-24-30-48(31-25-38)28-13-34-50(3,4)36-15-37-51(5,6)35-14-29-49-32-26-39(27-33-49)17-12-23-45-47(2)41-19-8-10-21-43(41)53-45;;;;/h7-12,16-27,30-33H,13-15,28-29,34-37H2,1-6H3;4*1H/q+4;;;;/p-4
InChIKey GYPIAQJSRPTNTI-UHFFFAOYSA-J
SMILES [I-].[I-].[I-].[I-].[H]C(=C([H])c1oc2ccccc2[n+]1C)C([H])=C1C=CN(CCC[N+](C)(C)CCC[N+](C)(C)CCCN2C=CC(C=C2)=C([H])C([H])=C([H])c2oc3ccccc3[n+]2C)C=C1
Roles Classification
Application(s): fluorochrome
A fluorescent dye used to stain biological specimens.
(via PoPo-3(4+) )
dye

(via cyanine dye )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing PoPo-3 (CHEBI:52220) has role fluorochrome (CHEBI:51217)
PoPo-3 (CHEBI:52220) is a cyanine dye (CHEBI:37960)
PoPo-3 (CHEBI:52220) is a organic iodide salt (CHEBI:50356)
PoPo-3 (CHEBI:52220) is a PoPo-3(4+) (CHEBI:52888)
IUPAC Names
1,1'-{propane-1,3-diylbis[(dimethylazaniumdiyl)propane-3,1-diyl]}bis{4-[3-(3-methyl-1,3-benzoxazol-2(3H)-ylidene)prop-1-en-1-yl]pyridinium} tetraiodide
2,2'-{propane-1,3-diylbis[(dimethylazaniumdiyl)propane-3,1-diylpyridin-1-yl-4-ylideneprop-1-en-1-yl-3-ylidene]}bis(3-methyl-1,3-benzoxazol-3-ium) tetraiodide
Last Modified
08 July 2010