YOL

[[2,2'-[4-CARBOXY-1,2-PHENYLENEBIS(NITRILOMETHYLIDYNE)]BIS[PHENOLATO]](2-)-N,N',O,O']-IRON

Created: 2005-03-09
Last modified:  2021-03-01

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Chemical Details

Formal Charge2
Atom Count42
Chiral Atom Count1
Bond Count47
Aromatic Bond Count18
2D diagram of YOL
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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
Systematic Name (OpenEye OEToolkits)n/a
FormulaC21 H14 Fe N2 O4
Molecular Weight414.192
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(O)c6ccc1c([N+]4=Cc5ccccc5O[Fe]24Oc3c(C=[N+]12)cccc3)c6
SMILESCACTVS3.341OC(=O)c1ccc2c(c1)[N+]3=Cc4ccccc4O[Fe]35Oc6ccccc6C=[N+]25
SMILESOpenEye OEToolkits1.5.0c1ccc2c(c1)C=[N+]3c4ccc(cc4[N+]5=Cc6ccccc6O[Fe]35O2)C(=O)O
Canonical SMILESCACTVS3.341 OC(=O)c1ccc2c(c1)[N+]3=Cc4ccccc4O[Fe]35Oc6ccccc6C=[N+]25
Canonical SMILESOpenEye OEToolkits1.5.0 c1ccc2c(c1)C=[N+]3c4ccc(cc4[N+]5=Cc6ccccc6O[Fe@@]35O2)C(=O)O
InChIInChI1.03 InChI=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+;
InChIKeyInChI1.03 AYPNHSRYHHHKFU-HPUGBGFMSA-L

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