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CHEBI:52220 - PoPo-3

ChEBI IDCHEBI:52220
ChEBI NamePoPo-3
Stars
Last Modified8 July 2010
SubmitterInma Spiteri
DownloadsMolfile
FormulaC45H58N6O2.4I
Net Charge0
Average Mass1222.615
Monoisotopic Mass1222.08002
SMILES[H]C(=C1C=CN(CCC[N+](C)(C)CCC[N+](C)(C)CCCN2C=CC(=C([H])C([H])=C([H])c3oc4ccccc4[n+]3C)C=C2)C=C1)C([H])=C([H])c1oc2ccccc2[n+]1C.[I-].[I-].[I-].[I-]
InChIInChI=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
InChIKeyGYPIAQJSRPTNTI-UHFFFAOYSA-J
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
ChEBI Ontology
Outgoing Relation(s)
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 
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
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