EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:52713 - CellTracker red CMTPX 5-isomer

ChEBI IDCHEBI:52713
ChEBI NameCellTracker red CMTPX 5-isomer
Stars
DefinitionThe 5-isomer of a fluorescent dye with an emission wavelength of 602 nm, derived from a heteropentacyclic ring system.
Last Modified9 July 2009
SubmitterSteve
DownloadsMolfile
FormulaC42H40ClN3O4
Net Charge0
Average Mass686.252
Monoisotopic Mass685.27073
SMILESCC1=CC(C)(C)N(C)c2cc3c(cc21)C(c1ccc(NC(=O)c2ccc(CCl)cc2)cc1C(=O)[O-])=c1cc2c(cc1O3)=[N+](C)C(C)(C)C=C2C
InChIInChI=1S/C42H40ClN3O4/c1-23-20-41(3,4)45(7)34-18-36-32(16-29(23)34)38(33-17-30-24(2)21-42(5,6)46(8)35(30)19-37(33)50-36)28-14-13-27(15-31(28)40(48)49)44-39(47)26-11-9-25(22-43)10-12-26/h9-21H,22H2,1-8H3,(H,48,49)
InChIKeySRYMYEOAINPJDB-UHFFFAOYSA-N
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
CellTracker red CMTPX 5-isomer (CHEBI:52713) has role fluorochrome (CHEBI:51217)
CellTracker red CMTPX 5-isomer (CHEBI:52713) is a CellTracker red CMTPX (CHEBI:52711)
IUPAC Name 
5-({[4-(chloromethyl)phenyl]carbonyl}amino)-2-(1,2,2,4,8,10,10,11-octamethyl-10,11-dihydro-2H-pyrano[3,2-g:5,6-g']diquinolin-1-ium-6-yl)benzoate