chempirical

Lodoxamide tromethamine

C15H17ClN4O9CAS 63610-09-3432.77 g/mol

Open in Covalent MOL file
NNHOOOHClNHOOHOH2NOHHOOH
AlcoholAmideAryl halideCarboxylic acidNitrilePrimary amine

Properties

Molecular formula
C15H17ClN4O9
Molar mass
432.77 g/mol
Exact mass
432.0684 Da
logP
-2.08Crippen estimate
Polar surface area
243.3 Ų
H-bond donors / acceptors
8 / 9
Rotatable bonds
5

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
63610-09-3
SMILES
N#Cc1cc(NC(=O)C(=O)O)c(Cl)c(NC(=O)C(=O)O)c1.NC(CO)(CO)CO
InChIKey
KUGJPYZIWCRREB-UHFFFAOYSA-N
InChI
InChI=1S/C11H6ClN3O6.C4H11NO3/c12-7-5(14-8(16)10(18)19)1-4(3-13)2-6(7)15-9(17)11(20)21;5-4(1-6,2-7)3-8/h1-2H,(H,14,16)(H,15,17)(H,18,19)(H,20,21);6-8H,1-3,5H2

Weigh it out

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

Names and synonyms

7 names
  • Acetic acid, 2,2′-[(2-chloro-5-cyano-1,3-phenylene)diimino]bis[2-oxo-, compd. with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:2)
  • 1,3-Propanediol, 2-amino-2-(hydroxymethyl)-, 2,2′-[(2-chloro-5-cyano-1,3-phenylene)diimino]bis[2-oxoacetate] (2:1) (salt)
  • U 42585E
  • Almide
  • Lodoxamide tromethamine salt
  • Lodoxamide trometamol
  • Alomide

Work with Lodoxamide tromethamine

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.

Lodoxamide53882-12-5Free acid Tris77-86-1Free base Dinoprost tromethamine38562-01-5Salt Ketorolac tromethamine74103-07-4Salt Fosfomycin tromethamine78964-85-9Salt Tris(hydroxymethyl)aminomethane hydrochloride1185-53-1Salt Carboprost tromethamine58551-69-2Salt S-(+)-Ketoprofen trometamol156604-79-4Salt Tris-acetate6850-28-8Salt Phosphoric acid, mono(4-nitrophenyl) ester, compd. with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:2)68189-42-4Salt

Similar compounds

((5-Chloropyridin-2-yl)amino)(oxo)acetic acid552850-73-431 % similar 4-Chloro-3,5-dinitrobenzonitrile1930-72-931 % similar [(2,6-Dimethylphenyl)amino](oxo)acetic acid2903-48-231 % similar

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

Elsewhere

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