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CHEBI:52314 - rhodamine 101

ChEBI IDCHEBI:52314
ChEBI Namerhodamine 101
Stars
Last Modified17 April 2009
SubmitterInma Spiteri
DownloadsMolfile
FormulaC32H30N2O3
Net Charge0
Average Mass490.603
Monoisotopic Mass490.22564
SMILESO=C([O-])c1ccccc1C1=c2cc3c4c(c2Oc2c1cc1c5c2CCCN5CCC1)CCC[N+]=4CCC3
InChIInChI=1S/C32H30N2O3/c35-32(36)22-10-2-1-9-21(22)27-25-17-19-7-3-13-33-15-5-11-23(28(19)33)30(25)37-31-24-12-6-16-34-14-4-8-20(29(24)34)18-26(27)31/h1-2,9-10,17-18H,3-8,11-16H2
InChIKeyMUSLHCJRTRQOSP-UHFFFAOYSA-N
Roles Classification
Application:
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
rhodamine 101 (CHEBI:52314) has role fluorochrome (CHEBI:51217)
rhodamine 101 (CHEBI:52314) is a iminium betaine (CHEBI:35285)
rhodamine 101 (CHEBI:52314) is a organic heteroheptacyclic compound (CHEBI:52157)
IUPAC Name 
2-(2,3,6,7,12,13,16,17-octahydro-1H,5H,11H,15H-pyrido[3,2,1-ij]quinolizino[1',9':6,7,8]chromeno[2,3-f]quinolin-4-ium-9-yl)benzoate
Synonym  Source
Rhodamine 640ChEBI
Registry NumbersSources
Beilstein:5680006Beilstein
CAS:64339-18-0ChemIDplus