CHEBI:52713 - CellTracker red CMTPX 5-isomer

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ChEBI Name CellTracker red CMTPX 5-isomer
ChEBI ID CHEBI:52713
Definition The 5-isomer of a fluorescent dye with an emission wavelength of 602 nm, derived from a heteropentacyclic ring system.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C42H40ClN3O4
Net Charge 0
Average Mass 686.23800
Monoisotopic Mass 685.27073
InChI InChI=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)
InChIKey SRYMYEOAINPJDB-UHFFFAOYSA-N
SMILES CN1c2cc3Oc4cc5=[N+](C)C(C)(C)C=C(C)c5cc4=C(c3cc2C(C)=CC1(C)C)c1ccc(NC(=O)c2ccc(CCl)cc2)cc1C([O-])=O
Roles Classification
Application(s): fluorochrome
A fluorescent dye used to stain biological specimens.
(via CellTracker red CMTPX )
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ChEBI Ontology
Outgoing 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
Last Modified
09 July 2009