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CHEBI:78721 - tetramethylrhodamine ethyl ester(1+)

ChEBI IDCHEBI:78721
ChEBI Nametetramethylrhodamine ethyl ester(1+)
Stars
DefinitionAn organic cation resulting from the conversion of the carboxylate group of tetramethylrhodamine to the corresponding ethyl ester.
Last Modified6 June 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC26H27N2O3
Net Charge+1
Average Mass415.513
Monoisotopic Mass415.20162
SMILESCCOC(=O)c1ccccc1-c1c2ccc(=[N+](C)C)cc-2oc2cc(N(C)C)ccc12
InChIInChI=1S/C26H27N2O3/c1-6-30-26(29)20-10-8-7-9-19(20)25-21-13-11-17(27(2)3)15-23(21)31-24-16-18(28(4)5)12-14-22(24)25/h7-16H,6H2,1-5H3/q+1
InChIKeyPQMJQYONVLIFOV-UHFFFAOYSA-N
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
ChEBI Ontology
Outgoing Relation(s)
tetramethylrhodamine ethyl ester(1+) (CHEBI:78721) has functional parent tetramethylrhodamine (CHEBI:52282)
tetramethylrhodamine ethyl ester(1+) (CHEBI:78721) has role fluorochrome (CHEBI:51217)
tetramethylrhodamine ethyl ester(1+) (CHEBI:78721) is a organic cation (CHEBI:25697)
tetramethylrhodamine ethyl ester(1+) (CHEBI:78721) is a xanthene dye (CHEBI:37929)
Incoming Relation(s)
tetramethylrhodamine ethyl ester perchlorate (CHEBI:78720) has part tetramethylrhodamine ethyl ester(1+) (CHEBI:78721)
IUPAC Name 
6-(dimethylamino)-9-[2-(ethoxycarbonyl)phenyl]-N,N-dimethyl-3H-xanthen-3-iminium
Synonym  Source
TMREChEBI
Citations