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CHEBI:51896 - C545T

ChEBI IDCHEBI:51896
ChEBI NameC545T
Stars
Last Modified11 February 2009
SubmitterInma Spiteri
DownloadsMolfile
FormulaC26H26N2O2S
Net Charge0
Average Mass430.573
Monoisotopic Mass430.17150
SMILESCC1(C)CCN2CCC(C)(C)c3c2c1cc1cc(-c2nc4ccccc4s2)c(=O)oc31
InChIInChI=1S/C26H26N2O2S/c1-25(2)9-11-28-12-10-26(3,4)20-21(28)17(25)14-15-13-16(24(29)30-22(15)20)23-27-18-7-5-6-8-19(18)31-23/h5-8,13-14H,9-12H2,1-4H3
InChIKeyMSDMPJCOOXURQD-UHFFFAOYSA-N
Roles Classification
Application:
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
C545T (CHEBI:51896) has role fluorochrome (CHEBI:51217)
C545T (CHEBI:51896) is a 7-aminocoumarins (CHEBI:51769)
C545T (CHEBI:51896) is a benzothiazoles (CHEBI:37947)
IUPAC Name 
10-(1,3-benzothiazol-2-yl)-1,1,7,7-tetramethyl-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11-one
Synonym  Source
Coumarin 545TChEBI
Manual XrefsDatabases
US6727362Patent