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> Main
CHEBI:60608 - rhodamine B 5-isothiocyanate
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ChEBI Name
rhodamine B 5-isothiocyanate
ChEBI ID
CHEBI:60608
Definition
The 5-isomer of rhodamine B isothiocyanate.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C29H30ClN3O3S
Net Charge
0
Average Mass
536.08500
Monoisotopic Mass
535.16964
InChI
InChI=1S/C29H29N3O3S.ClH/c1-
5-
31(6-
2)
20-
10-
13-
23-
26(16-
20)
35-
27-
17-
21(32(7-
3)
8-
4)
11-
14-
24(27)
28(23)
22-
12-
9-
19(30-
18-
36)
15-
25(22)
29(33)
34;/h9-
17H,5-
8H2,1-
4H3;1H
InChIKey
YVSWPCCVTYEEHG-UHFFFAOYSA-N
SMILES
[Cl-].CCN(CC)c1ccc2c(-c3ccc(cc3C(O)=O)N=C=S)c3ccc(cc3oc2c1)=[N+](CC)CC
Roles Classification
Application
(s):
fluorochrome
A fluorescent dye used to stain biological specimens.
(via
rhodamine B isothiocyanate
)
dye
(via
xanthene dye
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
rhodamine B 5-isothiocyanate (
CHEBI:60608
)
has role
fluorochrome (
CHEBI:51217
)
rhodamine B 5-isothiocyanate (
CHEBI:60608
)
is a
rhodamine B isothiocyanate (
CHEBI:60604
)
IUPAC Name
N
-
[9-
(2-
carboxy-
4-
isothiocyanatophenyl)-
6-
(diethylamino)-
3
H
-
xanthen-
3-
ylidene]-
N
-
ethylethanaminium chloride
Synonyms
Sources
rhodamine B isothiocyanate 5-isomer
ChEBI
RITC
ChEBI
Registry Numbers
Types
Sources
10753432
Beilstein Registry Number
Beilstein
36877-69-7
CAS Registry Number
ChemIDplus
Citation
Type
Source
20371259
PubMed citation
Europe PMC
Last Modified
09 November 2010
General Comment
2010-11-09
The numbering of the 5-isocyanato substituent on the phenyl ring is based upon the numbering of the ring-closed lactone tautomer of the fluoroscein skeleton.