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CHEBI:51903 - calcein

ChEBI IDCHEBI:51903
ChEBI Namecalcein
Stars
Last Modified7 October 2019
SubmitterInma Spiteri
DownloadsMolfile
FormulaC30H26N2O13
Net Charge0
Average Mass622.539
Monoisotopic Mass622.14349
SMILESO=C(O)CN(CC(=O)O)Cc1cc2c(cc1O)Oc1cc(O)c(CN(CC(=O)O)CC(=O)O)cc1C21OC(=O)c2ccccc21
InChIInChI=1S/C30H26N2O13/c33-21-7-23-19(5-15(21)9-31(11-25(35)36)12-26(37)38)30(18-4-2-1-3-17(18)29(43)45-30)20-6-16(22(34)8-24(20)44-23)10-32(13-27(39)40)14-28(41)42/h1-8,33-34H,9-14H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)
InChIKeyDEGAKNSWVGKMLS-UHFFFAOYSA-N
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
ChEBI Ontology
Outgoing Relation(s)
calcein (CHEBI:51903) has functional parent fluoran (CHEBI:37915)
calcein (CHEBI:51903) has role fluorochrome (CHEBI:51217)
calcein (CHEBI:51903) is a xanthene dye (CHEBI:37929)
Incoming Relation(s)
calcein am (CHEBI:3303) has functional parent calcein (CHEBI:51903)
IUPAC Name 
2,2',2'',2'''-[(3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-2',7'-diyl)bis(methylenenitrilo)]tetraacetic acid
INNs  Source
oftasceineWHO MedNet
oftasceínaWHO MedNet
oftascéineWHO MedNet
oftasceinumWHO MedNet
Synonyms  Source
2',7'-Bis((bis(carboxymethyl)amino)methyl)fluoresceinChemIDplus
2,7-Bis(N,N-bis(carboxymethyl)aminomethylene)fluoresceinChemIDplus
N,N'-(3',6'-Dihydroxyspiro(phthalid-3,9'-xanthen)-2',7'-diyldimethyl)bis(iminodiessigsaeure)ChemIDplus
Manual XrefsDatabases
4639DrugCentral
Registry NumbersSources
CAS:1461-15-0ChemIDplus