CHEBI:52252 - QSY21 succinimidyl ester

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ChEBI Name QSY21 succinimidyl ester
ChEBI ID CHEBI:52252
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C45H39ClN4O7S
Net Charge 0
Average Mass 815.33200
Monoisotopic Mass 814.22280
InChI InChI=1S/C45H39N4O7S.ClH/c50-42-17-18-43(51)49(42)56-45(52)29-19-21-48(22-20-29)57(53,54)41-12-6-5-11-38(41)44-36-15-13-34(46-25-30-7-1-2-8-31(30)26-46)23-39(36)55-40-24-35(14-16-37(40)44)47-27-32-9-3-4-10-33(32)28-47;/h1-16,23-24,29H,17-22,25-28H2;1H/q+1;/p-1
InChIKey MTVVRWVOXZSVBW-UHFFFAOYSA-M
SMILES [Cl-].O=C1CCC(=O)N1OC(=O)C1CCN(CC1)S(=O)(=O)c1ccccc1C1=c2ccc(cc2Oc2cc(ccc12)N1Cc2ccccc2C1)=[N+]1Cc2ccccc2C1
Roles Classification
Application(s): fluorochrome
A fluorescent dye used to stain biological specimens.
dye

(via xanthene dye )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing QSY21 succinimidyl ester (CHEBI:52252) has part QSY21 succinimidyl ester(1+) (CHEBI:52889)
QSY21 succinimidyl ester (CHEBI:52252) has role fluorochrome (CHEBI:51217)
QSY21 succinimidyl ester (CHEBI:52252) is a organic chloride salt (CHEBI:36094)
QSY21 succinimidyl ester (CHEBI:52252) is a xanthene dye (CHEBI:37929)
IUPAC Name
2-[6-(1,3-dihydro-2H-isoindol-2-yl)-9-{2-[(4-{[(2,5-dioxopyrrolidin-1-yl)oxy]carbonyl}piperidin-1-yl)sulfonyl]phenyl}-3H-xanthen-3-ylidene]-2,3-dihydro-1H-isoindolium chloride
Synonym Source
QSY 21 ChEBI
Last Modified
31 July 2009