CHEBI:86288 - 3,3'-dipentyloxacarbocyanine

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ChEBI Name 3,3'-dipentyloxacarbocyanine
ChEBI ID CHEBI:86288
Definition The 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Ceri
Supplier Information
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Formula C27H33N2O2
Net Charge +1
Average Mass 417.56260
Monoisotopic Mass 417.25365
InChI InChI=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
InChIKey ZLQJJALHJYCWSH-UHFFFAOYSA-N
SMILES CCCCCN1C(Oc2ccccc12)=CC=Cc1oc2ccccc2[n+]1CCCCC
Roles Classification
Application(s): fluorochrome
A fluorescent dye used to stain biological specimens.
dye

(via cyanine dye )
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ChEBI Ontology
Outgoing 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 Sources
3,3'-Dipentyl-2,2'-oxacarbocyanine ChemIDplus
DiOC5(3) SUBMITTER
Registry Numbers Types Sources
4165995 Reaxys Registry Number Reaxys
60031-82-5 CAS Registry Number ChemIDplus
Last Modified
13 July 2015