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CHEBI:52237 - Po-Pro-1

Default Structure
ChEBI IDCHEBI:52237
ChEBI NamePo-Pro-1
Stars
Last Modified30 July 2009
SubmitterInma Spiteri
DownloadsMolfile
FormulaC20H27N3O.2I
Net Charge0
Average Mass579.264
Monoisotopic Mass579.02436
SMILES[H]C(=C1C=CN(CCC[N+](C)(C)C)C=C1)c1oc2ccccc2[n+]1C.[I-].[I-]
InChIInChI=1S/C20H27N3O.2HI/c1-21-18-8-5-6-9-19(18)24-20(21)16-17-10-13-22(14-11-17)12-7-15-23(2,3)4;;/h5-6,8-11,13-14,16H,7,12,15H2,1-4H3;2*1H/q+2;;/p-2
InChIKeyQBKMWMZYHZILHF-UHFFFAOYSA-L
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
ChEBI Ontology
Outgoing Relation(s)
Po-Pro-1 (CHEBI:52237) has part Po-Pro-1(2+) (CHEBI:52885)
Po-Pro-1 (CHEBI:52237) has role fluorochrome (CHEBI:51217)
Po-Pro-1 (CHEBI:52237) is a cyanine dye (CHEBI:37960)
Po-Pro-1 (CHEBI:52237) is a organic iodide salt (CHEBI:50356)
IUPAC Names 
3-methyl-2-({1-[3-(trimethylammonio)propyl]pyridin-4(1H)-ylidene}methyl)-1,3-benzoxazol-3-ium diiodide
4-[(3-methyl-1,3-benzoxazol-2(3H)-ylidene)methyl]-1-[3-(trimethylammonio)propyl]pyridinium diiodide
Synonym  Source
Benzoxazolium, 3-methyl-2-[[1-[3-(trimethylammonio)propyl]-4(1H)-pyridinylidene]methyl]-, diiodideChEBI