chempirical

Lodoxamide

C11H6ClN3O6CAS 53882-12-5311.63 g/mol

Open in Covalent MOL file
NNHOOOHClNHOOHO
AmideAryl halideCarboxylic acidNitrile

Properties

Molecular formula
C11H6ClN3O6
Molar mass
311.63 g/mol
Exact mass
310.9945 Da
Melting point
212 °C (decomposes)
logP
0.26Crippen estimate
Polar surface area
156.6 Ų
H-bond donors / acceptors
4 / 5
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
53882-12-5
SMILES
N#Cc1cc(NC(=O)C(=O)O)c(Cl)c(NC(=O)C(=O)O)c1
InChIKey
RVGLGHVJXCETIO-UHFFFAOYSA-N
InChI
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)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Acetic acid, 2,2′-[(2-chloro-5-cyano-1,3-phenylene)diimino]bis[2-oxo-
  • 2,2′-[(2-Chloro-5-cyano-1,3-phenylene)diimino]bis[2-oxoacetic acid]
  • Thilomide
  • 2,2′-((2-Chloro-5-cyano-1,3-phenylene)bis(azanediyl))bis(2-oxoacetic acid)
  • 2-[2-Chloro-5-cyano-3-(oxaloamino)anilino]-2-oxoacetic acid

Work with Lodoxamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Lodoxamide tromethamine63610-09-3Salt

Similar compounds

4-Chloro-3,5-dinitrobenzonitrile1930-72-938 % similar [(2,6-Dimethylphenyl)amino](oxo)acetic acid2903-48-238 % similar ((5-Chloropyridin-2-yl)amino)(oxo)acetic acid552850-73-438 % similar 2-Chloro-4-cyanobenzoic acid117738-77-935 % similar 3-Cyanobenzoic acid1877-72-135 % similar 2,4-Dichloro-3-cyano-5-fluorobenzoic acid117528-58-233 % similar Chloroxynil1891-95-833 % similar 3,5-Dichlorobenzonitrile6575-00-433 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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