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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:52694 - C3-indocyanine
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ChEBI Ontology
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ChEBI Name
C3-indocyanine
ChEBI ID
CHEBI:52694
Definition
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
C27H33IN2
Net Charge
0
Average Mass
512.46880
Monoisotopic Mass
512.16884
InChI
InChI=1S/C27H33N2.HI/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;1H/q+1;/p-
1
InChIKey
LGRNGKUSEZTBMB-UHFFFAOYSA-M
SMILES
[I-].[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
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
C3-indocyanine (
CHEBI:52694
)
has part
C3-indocyanine cation (
CHEBI:52804
)
C3-indocyanine (
CHEBI:52694
)
has role
fluorochrome (
CHEBI:51217
)
C3-indocyanine (
CHEBI:52694
)
is a
cyanine dye (
CHEBI:37960
)
C3-indocyanine (
CHEBI:52694
)
is a
organic iodide salt (
CHEBI:50356
)
IUPAC Name
1-
ethyl-
2-
[3-
(1-
ethyl-
3,3-
dimethyl-
1,3-
dihydro-
2
H
-
indol-
2-
ylidene)prop-
1-
en-
1-
yl]-
3,3-
dimethyl-
3
H
-
indolium iodide
Synonyms
Sources
1,1'-Diethyl-3,3,3',3'-tetramethylindocarbocyanine iodide
ChEBI
C3-DI (C3-di-indolenine)
ChEBI
Indocarbocyanine(C3)
ChEBI
Registry Number
Type
Source
4088977
Beilstein Registry Number
Beilstein
Last Modified
02 December 2009