chempirical

Propoxycarbazone sodium

C15H17N4NaO7SCAS 181274-15-7420.37 g/mol

Open in Covalent MOL file
ONNON−SOOOOONNa+
EsterEther

Properties

Molecular formula
C15H17N4NaO7S
Molar mass
420.37 g/mol
Exact mass
420.0716 Da
logP
-0.07Crippen estimate
Polar surface area
142.1 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
6

Identifiers

CAS number
181274-15-7
SMILES
CCCOc1nn(C(=O)[N-]S(=O)(=O)c2ccccc2C(=O)OC)c(=O)n1C.[Na+]
InChIKey
LNSXXOLAIATXPJ-UHFFFAOYSA-N
InChI
InChI=1S/C15H18N4O7S.Na/c1-4-9-26-14-16-19(15(22)18(14)2)13(21)17-27(23,24)11-8-6-5-7-10(11)12(20)25-3;/h5-8H,4,9H2,1-3H3,(H,17,21);

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

Names and synonyms

7 names
  • Procarbazone sodium
  • Attribut
  • Benzoic acid, 2-[[[(4,5-dihydro-4-methyl-5-oxo-3-propoxy-1H-1,2,4-triazol-1-yl)carbonyl]amino]sulfonyl]-, methyl ester, sodium salt (1:1)
  • Benzoic acid, 2-[[[(4,5-dihydro-4-methyl-5-oxo-3-propoxy-1H-1,2,4-triazol-1-yl)carbonyl]amino]sulfonyl]-, methyl ester, sodium salt
  • BAY-MKH 6561
  • MKH 6561
  • Olympus

Work with Propoxycarbazone sodium

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

Similar compounds

Flucarbazone-sodium181274-17-953 % similar Methyl o-(chlorosulfonyl)benzoate26638-43-735 % similar Methyl 2-(aminosulfonyl)benzoate57683-71-335 % similar Sodium saccharin128-44-935 % similar Methyl 2-ethoxybenzoate3686-55-334 % similar Sodium saccharin dihydrate6155-57-333 % similar Saccharin sodium salt hydrate82385-42-033 % similar Sulfometuron methyl74222-97-231 % similar

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

Elsewhere

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