CHEBI:52781 - C3-oxacyanine

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ChEBI Name C3-oxacyanine
ChEBI ID CHEBI:52781
Definition A C3 cyanine dye having 3-ethyl-1,3-benzoxazol-2(3H)-yl units at each end.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:51894, CHEBI:52034
Supplier Information
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Formula C21H21IN2O2
Net Charge 0
Average Mass 460.30810
Monoisotopic Mass 460.06477
InChI InChI=1S/C21H21N2O2.HI/c1-3-22-16-10-5-7-12-18(16)24-20(22)14-9-15-21-23(4-2)17-11-6-8-13-19(17)25-21;/h5-15H,3-4H2,1-2H3;1H/q+1;/p-1
InChIKey FIZZUEJIOKEFFZ-UHFFFAOYSA-M
SMILES [I-].[H]C(=CC([H])=C1Oc2ccccc2N1CC)c1oc2ccccc2[n+]1CC
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 C3-oxacyanine (CHEBI:52781) has part C3-oxacyanine cation (CHEBI:52812)
C3-oxacyanine (CHEBI:52781) has role fluorochrome (CHEBI:51217)
C3-oxacyanine (CHEBI:52781) is a 1,3-benzoxazoles (CHEBI:51548)
C3-oxacyanine (CHEBI:52781) is a cyanine dye (CHEBI:37960)
C3-oxacyanine (CHEBI:52781) is a organic iodide salt (CHEBI:50356)
IUPAC Name
3-ethyl-2-[3-(3-ethyl-1,3-benzoxazol-2(3H)-ylidene)prop-1-en-1-yl]-1,3-benzoxazol-3-ium iodide
Synonyms Sources
3,3'-Diethyl-2,2'-oxadicarbocyanine iodide ChemIDplus
3,3'-Diethyloxacarbocyanine iodide ChemIDplus
C3-Oxacyanine ChEBI
CYA1 [3,3-diethyloxacarbo] ChEBI
DOCI dye ChEBI
Oxacarbocyanine (C3) ChEBI
Registry Numbers Types Sources
3898542 Beilstein Registry Number Beilstein
905-96-4 CAS Registry Number ChemIDplus
Last Modified
17 October 2009