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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(3
H
)-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
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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
)
View more via ChEBI Ontology
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(3
H
)-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