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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:52856 - FM 4-64(2+)
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ChEBI Name
FM 4-64(2+)
ChEBI ID
CHEBI:52856
Definition
A pyridinium cation with a 3-(triethylammonio)propyl substituent at the 1-position and a 6-[4-(dibutylamino)phenyl]hexa-1,3,5-trien-1-yl substituent at the 4-position.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C34H53N3
Net Charge
+2
Average Mass
503.80470
Monoisotopic Mass
503.42285
InChI
InChI=1S/C34H53N3/c1-
6-
11-
27-
36(28-
12-
7-
2)
34-
22-
20-
32(21-
23-
34)
18-
15-
13-
14-
16-
19-
33-
24-
29-
35(30-
25-
33)
26-
17-
31-
37(8-
3,9-
4)
10-
5/h13-
16,18-
25,29-
30H,6-
12,17,26-
28,31H2,1-
5H3/q+2
InChIKey
JGVVSBSPWPPLRS-UHFFFAOYSA-N
SMILES
[H]C(=CC([H])=Cc1cc[n+](CCC[N+](CC)(CC)CC)cc1)C=C([H])c1ccc(cc1)N(CCCC)CCCC
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
Application
(s):
fluorochrome
A fluorescent dye used to stain biological specimens.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
FM 4-64(2+) (
CHEBI:52856
)
has role
fluorochrome (
CHEBI:51217
)
FM 4-64(2+) (
CHEBI:52856
)
is a
pyridinium ion (
CHEBI:50334
)
FM 4-64(2+) (
CHEBI:52856
)
is a
quaternary ammonium ion (
CHEBI:35267
)
FM 4-64(2+) (
CHEBI:52856
)
is a
tertiary amine (
CHEBI:32876
)
Incoming
FM 4-64 dye (
CHEBI:52078
)
has part
FM 4-64(2+) (
CHEBI:52856
)
IUPAC Name
4-{6-[4-(dibutylamino)phenyl]hexa-1,3,5-trien-1-yl}-1-[3-(triethylammonio)propyl]pyridinium
Last Modified
29 July 2009