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CHEBI:52256 - QSY7 succinimidyl ester

ChEBI IDCHEBI:52256
ChEBI NameQSY7 succinimidyl ester
Stars
Last Modified31 July 2009
SubmitterInma Spiteri
DownloadsMolfile
FormulaC43H39N4O7S.Cl
Net Charge0
Average Mass791.326
Monoisotopic Mass790.22280
SMILESCN(c1ccccc1)c1ccc2c(-c3ccccc3S(=O)(=O)N3CCC(C(=O)ON4C(=O)CCC4=O)CC3)c3cc/c(=[N+](/C)c4ccccc4)cc-3oc2c1.[Cl-]
InChIInChI=1S/C43H39N4O7S.ClH/c1-44(30-11-5-3-6-12-30)32-17-19-34-37(27-32)53-38-28-33(45(2)31-13-7-4-8-14-31)18-20-35(38)42(34)36-15-9-10-16-39(36)55(51,52)46-25-23-29(24-26-46)43(50)54-47-40(48)21-22-41(47)49;/h3-20,27-29H,21-26H2,1-2H3;1H/q+1;/p-1
InChIKeyBDJDTKYGKHEMFF-UHFFFAOYSA-M
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
ChEBI Ontology
Outgoing Relation(s)
QSY7 succinimidyl ester (CHEBI:52256) has part QSY7 succinimidyl ester(1+) (CHEBI:52890)
QSY7 succinimidyl ester (CHEBI:52256) has role fluorochrome (CHEBI:51217)
QSY7 succinimidyl ester (CHEBI:52256) is a organic chloride salt (CHEBI:36094)
QSY7 succinimidyl ester (CHEBI:52256) is a xanthene dye (CHEBI:37929)
IUPAC Name 
N-(9-{2-[(4-{[(2,5-dioxopyrrolidin-1-yl)oxy]carbonyl}piperidin-1-yl)sulfonyl]phenyl}-6-[methyl(phenyl)amino]-3H-xanthen-3-ylidene)-N-methylanilinium chloride
Synonym  Source
QSY 7ChEBI
Registry NumbersSources
Beilstein:11392862Beilstein