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CHEBI:52260 - rhod-2 dye

ChEBI IDCHEBI:52260
ChEBI Namerhod-2 dye
Stars
Last Modified31 July 2009
SubmitterInma Spiteri
DownloadsMolfile
FormulaBr.C52H59N4O19
Net Charge0
Average Mass1123.957
Monoisotopic Mass1122.29569
SMILESCC(=O)OCOC(=O)CN(CC(=O)OCOC(C)=O)c1ccc(C)cc1OCCOc1cc(-c2c3ccc(=[N+](C)C)cc-3oc3cc(N(C)C)ccc23)ccc1N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O.[Br-]
InChIInChI=1S/C52H59N4O19.BrH/c1-32-10-16-42(55(24-48(61)71-28-67-33(2)57)25-49(62)72-29-68-34(3)58)46(20-32)65-18-19-66-47-21-37(11-17-43(47)56(26-50(63)73-30-69-35(4)59)27-51(64)74-31-70-36(5)60)52-40-14-12-38(53(6)7)22-44(40)75-45-23-39(54(8)9)13-15-41(45)52;/h10-17,20-23H,18-19,24-31H2,1-9H3;1H/q+1;/p-1
InChIKeyRWXWZOWDWYQKBK-UHFFFAOYSA-M
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
ChEBI Ontology
Outgoing Relation(s)
rhod-2 dye (CHEBI:52260) has part rhod-2(1+) (CHEBI:52892)
rhod-2 dye (CHEBI:52260) has role fluorochrome (CHEBI:51217)
rhod-2 dye (CHEBI:52260) is a organic bromide salt (CHEBI:48369)
rhod-2 dye (CHEBI:52260) is a xanthene dye (CHEBI:37929)
IUPAC Name 
N-[9-(4-{bis[2-(acetoxymethoxy)-2-oxoethyl]amino}-3-[2-(2-{bis[2-(acetoxymethoxy)-2-oxoethyl]amino}-5-methylphenoxy)ethoxy]phenyl)-6-(dimethylamino)-3H-xanthen-3-ylidene]-N-methylmethanaminium bromide
Synonym  Source
Rhod-2 AMChEBI