Chemical Component Summary

Name[[2,2'-[4-CARBOXY-1,2-PHENYLENEBIS(NITRILOMETHYLIDYNE)]BIS[PHENOLATO]](2-)-N,N',O,O']-IRON
SynonymsSALOPHEN-10-CARBOXYLATE IRON CHELATE
Identifiersn/a
FormulaC21 H14 Fe N2 O4
Molecular Weight414.192
TypeNON-POLYMER
Isomeric SMILESc1ccc2c(c1)C=[N+]3c4ccc(cc4[N+]5=Cc6ccccc6O[Fe@@]35O2)C(=O)O
InChIInChI=1S/C21H16N2O4.Fe/c24-19-7-3-1-5-15(19)12-22-17-10-9-14(21(26)27)11-18(17)23-13-16-6-2-4-8-20(16)25;/h1-13,24-25H,(H,26,27);/q;+4/p-2/b22-12+,23-13+;
InChIKeyAYPNHSRYHHHKFU-HPUGBGFMSA-L

Chemical Details

Formal Charge2
Atom Count42
Chiral Atom Count1
Bond Count47
Aromatic Bond Count18

Drug Info: DrugBank

DrugBank IDDB04810 
NameSalophen-10-carboxylate iron chelate
Groups experimental
SynonymsSalophen-10-carboxylate iron chelate

Drug Targets

NameTarget SequencePharmacological ActionActions
Heme oxygenaseMTTATAGLAVELKQSTAQAHEKAEHSTFMSDLLKGRLGVAEFTRLQEQAW...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682