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ChEBI
> Main
CHEBI:52252 - QSY21 succinimidyl ester
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ChEBI Ontology
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ChEBI Name
QSY21 succinimidyl ester
ChEBI ID
CHEBI:52252
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C45H39ClN4O7S
Net Charge
0
Average Mass
815.33200
Monoisotopic Mass
814.22280
InChI
InChI=1S/C45H39N4O7S.ClH/c50-
42-
17-
18-
43(51)
49(42)
56-
45(52)
29-
19-
21-
48(22-
20-
29)
57(53,54)
41-
12-
6-
5-
11-
38(41)
44-
36-
15-
13-
34(46-
25-
30-
7-
1-
2-
8-
31(30)
26-
46)
23-
39(36)
55-
40-
24-
35(14-
16-
37(40)
44)
47-
27-
32-
9-
3-
4-
10-
33(32)
28-
47;/h1-
16,23-
24,29H,17-
22,25-
28H2;1H/q+1;/p-
1
InChIKey
MTVVRWVOXZSVBW-UHFFFAOYSA-M
SMILES
[Cl-
]
.O=C1CCC(=O)
N1OC(=O)
C1CCN(CC1)
S(=O)
(=O)
c1ccccc1C1=c2ccc(cc2Oc2cc(ccc12)
N1Cc2ccccc2C1)
=[N+]
1Cc2ccccc2C1
Roles Classification
Application
(s):
fluorochrome
A fluorescent dye used to stain biological specimens.
dye
(via
xanthene dye
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
QSY21 succinimidyl ester (
CHEBI:52252
)
has part
QSY21 succinimidyl ester(1+) (
CHEBI:52889
)
QSY21 succinimidyl ester (
CHEBI:52252
)
has role
fluorochrome (
CHEBI:51217
)
QSY21 succinimidyl ester (
CHEBI:52252
)
is a
organic chloride salt (
CHEBI:36094
)
QSY21 succinimidyl ester (
CHEBI:52252
)
is a
xanthene dye (
CHEBI:37929
)
IUPAC Name
2-
[6-
(1,3-
dihydro-
2
H
-
isoindol-
2-
yl)-
9-
{2-
[(4-
{[(2,5-
dioxopyrrolidin-
1-
yl)oxy]carbonyl}piperidin-
1-
yl)sulfonyl]phenyl}-
3
H
-
xanthen-
3-
ylidene]-
2,3-
dihydro-
1
H
-
isoindolium chloride
Synonym
Source
QSY 21
ChEBI
Last Modified
31 July 2009