WYB

2,2'-[(2-chloro-5-cyano-1,3-phenylene)bis(azanediyl)]bis(oxoacetic acid)

Created:2022-10-24
Last modified:  2023-10-31

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Chemical Details

Formal Charge0
Atom Count27
Chiral Atom Count0
Bond Count27
Aromatic Bond Count6
2D diagram of WYB

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Chemical Component Summary

Name2,2'-[(2-chloro-5-cyano-1,3-phenylene)bis(azanediyl)]bis(oxoacetic acid)
SynonymsLodoxamide
Systematic Name (OpenEye OEToolkits)2-[[3-(carboxycarbonylamino)-2-chloranyl-5-cyano-phenyl]amino]-2-oxidanylidene-ethanoic acid
FormulaC11 H6 Cl N3 O6
Molecular Weight311.635
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1c(cc(cc1NC(=O)C(=O)O)C#N)NC(=O)C(=O)O
SMILESCACTVS3.385OC(=O)C(=O)Nc1cc(cc(NC(=O)C(O)=O)c1Cl)C#N
SMILESOpenEye OEToolkits2.0.7c1c(cc(c(c1NC(=O)C(=O)O)Cl)NC(=O)C(=O)O)C#N
Canonical SMILESCACTVS3.385 OC(=O)C(=O)Nc1cc(cc(NC(=O)C(O)=O)c1Cl)C#N
Canonical SMILESOpenEye OEToolkits2.0.7 c1c(cc(c(c1NC(=O)C(=O)O)Cl)NC(=O)C(=O)O)C#N
InChIInChI1.06 InChI=1S/C11H6ClN3O6/c12-7-5(14-8(16)10(18)19)1-4(3-13)2-6(7)15-9(17)11(20)21/h1-2H,(H,14,16)(H,15,17)(H,18,19)(H,20,21)
InChIKeyInChI1.06 RVGLGHVJXCETIO-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB06794 
NameLodoxamide
Groups approved
DescriptionLodoxamide is a mast-cell stabilizer for topical administration into the eye. Mast-cell stabilizers, first one approved being cromolyn sodium, are used in treatment of ocular hypersensitivity reactions such as vernal conjunctivitis. These conditions often require treatment with anti-inflammatory medications such as ophthalmic NSAIDs or topical steroids which may cause systemic or toxic effects long-term. Although less effective than topical steroids at decreasing inflammation, mast-cell stabilizers offer another treatment option and exhibit minimal adverse effects. Lodoxamide is marketed under the brand name Alomide by Alcon.
Synonyms
  • Lodoxamida
  • N,N'-(2-chloro-5-cyano-m-phenylene)dioxamate
  • Lodoxamide tromethamine
  • Lodoxamide
Brand NamesAlomide
IndicationIndicated in the treatment of the ocular disorders referred to by the terms vernal keratoconjunctivitis, vernal conjunctivitis, and vernal keratitis.
Categories
  • Acids, Aldehydic
  • Alcohols
  • Amino Acids
  • Amino Acids, Peptides, and Proteins
  • Anti-Allergic Agents
ATC-CodeS01GX05
CAS number53882-12-5

Related Resource References

Resource NameReference
PubChem 44564
ChEMBL CHEMBL1201266
ChEBI CHEBI:135333