CHEBI:52804 - C3-indocyanine cation

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ChEBI Name C3-indocyanine cation
ChEBI ID CHEBI:52804
Definition The cationic form of a C3 cyanine dye having 1-ethyl-3,3-dimethylindoleinine units at each end.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C27H33N2
Net Charge +1
Average Mass 385.56430
Monoisotopic Mass 385.26383
InChI InChI=1S/C27H33N2/c1-7-28-22-16-11-9-14-20(22)26(3,4)24(28)18-13-19-25-27(5,6)21-15-10-12-17-23(21)29(25)8-2/h9-19H,7-8H2,1-6H3/q+1
InChIKey PUIDNHIQNRMZGS-UHFFFAOYSA-N
SMILES [H]C(=C([H])C1=[N+](CC)c2ccccc2C1(C)C)C([H])=C1N(CC)c2ccccc2C1(C)C
Roles Classification
Application(s): fluorochrome
A fluorescent dye used to stain biological specimens.
dye

(via cyanine dye )
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ChEBI Ontology
Outgoing C3-indocyanine cation (CHEBI:52804) has role fluorochrome (CHEBI:51217)
C3-indocyanine cation (CHEBI:52804) is a cyanine dye (CHEBI:37960)
C3-indocyanine cation (CHEBI:52804) is a indolium ion (CHEBI:52840)
Incoming C3-indocyanine (CHEBI:52694) has part C3-indocyanine cation (CHEBI:52804)
IUPAC Name
1-ethyl-2-[3-(1-ethyl-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene)prop-1-en-1-yl]-3,3-dimethyl-3H-indolium
Last Modified
28 July 2009