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CHEBI:52935 - X-rhod-1(1+)

ChEBI IDCHEBI:52935
ChEBI NameX-rhod-1(1+)
Stars
DefinitionA cationic fluorescent dye derived from a xanthene-based heteroheptacycle.
Last Modified6 August 2009
SubmitterSteve
DownloadsMolfile
FormulaC60H67N4O19
Net Charge+1
Average Mass1148.205
Monoisotopic Mass1147.43940
SMILESCC(=O)OCOC(=O)CN(CC(=O)OCOC(C)=O)c1ccc(C)cc1OCCOc1cc(C2=c3cc4c5c(c3Oc3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)ccc1N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O
InChIInChI=1S/C60H67N4O19/c1-36-14-16-48(63(28-52(69)79-32-75-37(2)65)29-53(70)80-33-76-38(3)66)50(24-36)73-22-23-74-51-27-41(15-17-49(51)64(30-54(71)81-34-77-39(4)67)31-55(72)82-35-78-40(5)68)56-46-25-42-10-6-18-61-20-8-12-44(57(42)61)59(46)83-60-45-13-9-21-62-19-7-11-43(58(45)62)26-47(56)60/h14-17,24-27H,6-13,18-23,28-35H2,1-5H3/q+1
InChIKeyKWRLHAISDKTMGD-UHFFFAOYSA-N
Roles Classification
Application:
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
X-rhod-1(1+) (CHEBI:52935) 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)
X-rhod-1(1+) (CHEBI:52935) has role fluorochrome (CHEBI:51217)
X-rhod-1(1+) (CHEBI:52935) is a iminium ion (CHEBI:35286)
X-rhod-1(1+) (CHEBI:52935) is a organic heteroheptacyclic compound (CHEBI:52157)
Incoming Relation(s)
X-rhod-1 (CHEBI:52780) has part X-rhod-1(1+) (CHEBI:52935)
IUPAC Name 
9-(4-{bis[2-(acetyloxymethoxy)-2-oxoethyl]amino}-3-[2-(2-{bis[2-(acetyloxymethoxy)-2-oxoethyl]amino}-5-methylphenoxy)ethoxy]phenyl)-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
Synonym  Source
X-rhod-1 cationChEBI