LG-703
General
Type : Uncharged Oxime, Bisoxime, Oxime, Diazepane, Azepane
Chemical_Nomenclature : (2~{E})-2-hydroxyimino-~{N}-[2-[4-[2-[[(2~{E})-2-hydroxyiminoethanoyl]amino]ethyl]-1,4-diazepan-1-yl]ethyl]ethanamide
Canonical SMILES : C1CN(CCCN1CCN(C(C=NO[H])=O)[H])CCN(C(C(=NO[H])[H])=O)[H]
InChI : InChI=1S\/C13H24N6O4\/c20-12(10-16-22)14-2-6-18-4-1-5-19(9-8-18)7-3-15-13(21)11-17-23\/h10-11,22-23H,1-9H2,(H,14,20)(H,15,21)
InChIKey : DFNMYOZHKNITMF-UHFFFAOYSA-N
Other name(s) : (2E,2'E)-N,N'-[1,4-diazepane-1,4-diyldi(ethane-2,1-diyl)]bis[2-(hydroxyimino)acetamide] || SCHEMBL22691913
MW : 328.37
Formula : C13H24N6O4
CAS_number :
PubChem : 145946115
UniChem : DFNMYOZHKNITMF-UHFFFAOYSA-N
Target
Structure : 6U3P
Families : No family
References (1)
| Title : Rational design, synthesis and evaluation of uncharged, smart bis-oxime antidotes of organophosphate-inhibited human acetylcholinesterase - Gorecki_2020_J.Biol.Chem_295_4079 |
| Author(s) : Gorecki L , Gerlits O , Kong X , Cheng X , Blumenthal DK , Taylor P , Ballatore C , Kovalevsky A , Radic Z |
| Ref : Journal of Biological Chemistry , 295 :4079 , 2020 |
| Abstract : |
| PubMedSearch : Gorecki_2020_J.Biol.Chem_295_4079 |
| PubMedID: 32019865 |
| Gene_locus related to this paper: human-ACHE |