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CHEBI:86288 - 3,3'-dipentyloxacarbocyanine

ChEBI IDCHEBI:86288
ChEBI Name3,3'-dipentyloxacarbocyanine
Stars
DefinitionThe cationic form of a C3 cyanine dye having 3-pentyl-1,3-benzoxazol-2(3H)-yl units at each end. A fluorescent compound that preferentially stains chronic myelogenic leukemia cells.
Last Modified13 July 2015
SubmitterCeri
DownloadsMolfile
FormulaC27H33N2O2
Net Charge+1
Average Mass417.573
Monoisotopic Mass417.25365
SMILES[H]C(=CC([H])=C1Oc2ccccc2N1CCCCC)c1oc2ccccc2[n+]1CCCCC
InChIInChI=1S/C27H33N2O2/c1-3-5-11-20-28-22-14-7-9-16-24(22)30-26(28)18-13-19-27-29(21-12-6-4-2)23-15-8-10-17-25(23)31-27/h7-10,13-19H,3-6,11-12,20-21H2,1-2H3/q+1
InChIKeyZLQJJALHJYCWSH-UHFFFAOYSA-N
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
ChEBI Ontology
Outgoing Relation(s)
3,3'-dipentyloxacarbocyanine (CHEBI:86288) has role fluorochrome (CHEBI:51217)
3,3'-dipentyloxacarbocyanine (CHEBI:86288) is a benzoxazolium ion (CHEBI:52841)
3,3'-dipentyloxacarbocyanine (CHEBI:86288) is a cyanine dye (CHEBI:37960)
IUPAC Name 
3-pentyl-2-[3-(3-pentyl-1,3-benzoxazol-2(3H)-ylidene)prop-1-en-1-yl]-1,3-benzoxazol-3-ium
Synonyms  Source
DiOC5(3)SUBMITTER
3,3'-Dipentyl-2,2'-oxacarbocyanineChemIDplus
Registry NumbersSources
Reaxys:4165995Reaxys
CAS:60031-82-5ChemIDplus