FL1

5-{[({2-[4-(AMINOSULFONYL)PHENYL]ETHYL}AMINO)CARBONOTHIOYL]AMINO}-2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)BENZOIC ACID



Chemical Component Summary

Name5-{[({2-[4-(AMINOSULFONYL)PHENYL]ETHYL}AMINO)CARBONOTHIOYL]AMINO}-2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)BENZOIC ACID
Synonyms(4-SULFAMOYLPHENYLETHYLTHIOUREIDO)FLUORESCEIN
Identifiers2-(3-hydroxy-6-oxo-xanthen-9-yl)-5-[2-(4-sulfamoylphenyl)ethylcarbamothioylamino]benzoic acid
FormulaC29 H23 N3 O7 S2
Molecular Weight589.639
TypeNON-POLYMER
Isomeric SMILESc1cc(ccc1CCNC(=S)Nc2ccc(c(c2)C(=O)O)C3=C4C=CC(=O)C=C4Oc5c3ccc(c5)O)S(=O)(=O)N
InChIInChI=1S/C29H23N3O7S2/c30-41(37,38)20-6-1-16(2-7-20)11-12-31-29(40)32-17-3-8-21(24(13-17)28(35)36)27-22-9-4-18(33)14-25(22)39-26-15-19(34)5-10-23(26)27/h1-10,13-15,33H,11-12H2,(H,35,36)(H2,30,37,38)(H2,31,32,40)
InChIKeyZXJGFVGTIKDQMI-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count64
Chiral Atom Count0
Bond Count68
Aromatic Bond Count29

Related Resource References

Resource NameReference
Pharos CHEMBL1232755, CHEMBL186522
PubChem 11353795
ChEMBL CHEMBL1232755, CHEMBL186522