YOM

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

Created: 2005-03-15
Last modified:  2021-03-01

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Chemical Details

Formal Charge2
Atom Count39
Chiral Atom Count0
Bond Count44
Aromatic Bond Count18
2D diagram of YOM
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Chemical Component Summary

Name2,2'-[1,2-PHENYLENEBIS(NITRILOMETHYLIDYNE)]BIS[PHENOLATO]](2-)-N,N',O,O']-IRON
SynonymsSALOPHEN IRON CHELATE
Systematic Name (OpenEye OEToolkits)n/a
FormulaC20 H14 Fe N2 O2
Molecular Weight370.182
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O1c6c(C=[N+]2c5c([N+]3=Cc4ccccc4O[Fe]123)cccc5)cccc6
SMILESCACTVS3.341O1c2ccccc2C=[N+]3c4ccccc4[N+]5=Cc6ccccc6O[Fe]135
SMILESOpenEye OEToolkits1.5.0c1ccc2c(c1)C=[N+]3c4ccccc4[N+]5=Cc6ccccc6O[Fe]35O2
Canonical SMILESCACTVS3.341 O1c2ccccc2C=[N+]3c4ccccc4[N+]5=Cc6ccccc6O[Fe@]135
Canonical SMILESOpenEye OEToolkits1.5.0 c1ccc2c(c1)C=[N+]3c4ccccc4[N+]5=Cc6ccccc6O[Fe]35O2
InChIInChI1.03 InChI=1S/C20H16N2O2.Fe/c23-19-11-5-1-7-15(19)13-21-17-9-3-4-10-18(17)22-14-16-8-2-6-12-20(16)24;/h1-14,23-24H;/q;+4/p-2/b21-13+,22-14+;
InChIKeyInChI1.03 BSPYTUHYTMXMCB-JKBLJYNNSA-L

Drug Info: DrugBank

DrugBank IDDB04811 
NameSalophen iron chelate
Groups experimental
SynonymsSalophen 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

Related Resource References

Resource NameReference
CCDC/CSD MIGDAI