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CHEBI:51639 - 5-carboxy-X-rhodamine triethylammonium salt

ChEBI IDCHEBI:51639
ChEBI Name5-carboxy-X-rhodamine triethylammonium salt
Stars
DefinitionAn X-rhodamine triethylammonium salt having a carboxy substituent at the 5-position.
Last Modified30 June 2009
SubmitterInma Spiteri
DownloadsMolfile
FormulaC33H29N2O5.C6H16N
Net Charge0
Average Mass635.805
Monoisotopic Mass635.33592
SMILESCC[NH+](CC)CC.O=C([O-])c1ccc(-c2c3cc4c5c(c3[o+]c3c6c7c(cc23)CCCN7CCC6)CCCN5CCC4)c(C(=O)[O-])c1
InChIInChI=1S/C33H30N2O5.C6H15N/c36-32(37)20-9-10-21(24(17-20)33(38)39)27-25-15-18-5-1-11-34-13-3-7-22(28(18)34)30(25)40-31-23-8-4-14-35-12-2-6-19(29(23)35)16-26(27)31;1-4-7(5-2)6-3/h9-10,15-17H,1-8,11-14H2,(H-,36,37,38,39);4-6H2,1-3H3
InChIKeyBUJRUSRXHJKUQE-UHFFFAOYSA-N
Roles Classification
Application:
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
5-carboxy-X-rhodamine triethylammonium salt (CHEBI:51639) has parent hydride 2,3,6,7,12,13,16,17-octahydropyrido[3,2,1-ij]quinolizino[1',9':6,7,8]chromeno[2,3-f]quinolin-18-ium (CHEBI:52655)
5-carboxy-X-rhodamine triethylammonium salt (CHEBI:51639) has part 5-carboxy-X-rhodamine (CHEBI:51638)
5-carboxy-X-rhodamine triethylammonium salt (CHEBI:51639) has part triethylammonium ion (CHEBI:45791)
5-carboxy-X-rhodamine triethylammonium salt (CHEBI:51639) has role fluorochrome (CHEBI:51217)
5-carboxy-X-rhodamine triethylammonium salt (CHEBI:51639) is a organic heteroheptacyclic compound (CHEBI:52157)
5-carboxy-X-rhodamine triethylammonium salt (CHEBI:51639) is a organoammonium salt (CHEBI:46850)
IUPAC Name 
N,N-diethylethanaminium 4-(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-18-ium-9-yl)isophthalate
Synonym  Source
5-ROXChEBI