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CHEBI:52238 - Po-Pro-3

ChEBI IDCHEBI:52238
ChEBI NamePo-Pro-3
Stars
Last Modified6 August 2009
SubmitterInma Spiteri
DownloadsMolfile
FormulaC22H29N3O.2I
Net Charge0
Average Mass605.302
Monoisotopic Mass605.04001
SMILES[H]C(=C1C=CN(CCC[N+](C)(C)C)C=C1)C([H])=C([H])c1oc2ccccc2[n+]1C.[I-].[I-]
InChIInChI=1S/C22H29N3O.2HI/c1-23-20-10-5-6-11-21(20)26-22(23)12-7-9-19-13-16-24(17-14-19)15-8-18-25(2,3)4;;/h5-7,9-14,16-17H,8,15,18H2,1-4H3;2*1H/q+2;;/p-2
InChIKeyCZQJZBNARVNSLQ-UHFFFAOYSA-L
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
ChEBI Ontology
Outgoing Relation(s)
Po-Pro-3 (CHEBI:52238) has part Po-Pro-3(2+) (CHEBI:52886)
Po-Pro-3 (CHEBI:52238) has role fluorochrome (CHEBI:51217)
Po-Pro-3 (CHEBI:52238) is a cyanine dye (CHEBI:37960)
Po-Pro-3 (CHEBI:52238) is a organic iodide salt (CHEBI:50356)
IUPAC Names 
3-methyl-2-(3-{1-[3-(trimethylammonio)propyl]pyridin-4(1H)-ylidene}prop-1-en-1-yl)-1,3-benzoxazol-3-ium diiodide
4-[3-(3-methyl-1,3-benzoxazol-2(3H)-ylidene)prop-1-en-1-yl]-1-[3-(trimethylammonio)propyl]pyridinium diiodide
Synonym  Source
Benzoxazolium, 3-methyl-2-[3-[1-[3-(trimethylammonio)propyl]-4(1H)-pyridinylidene]-1-propenyl]-, diiodideChEBI