chempirical

Bispyribac-sodium

C19H17N4NaO8CAS 125401-92-5452.35 g/mol

Open in Covalent MOL file
OONOONOONO−ONNa+
Carboxylic acidEther

Properties

Molecular formula
C19H17N4NaO8
Molar mass
452.35 g/mol
Exact mass
452.0944 Da
Melting point
235–237 °C
logP
2.20Crippen estimate
Polar surface area
144.2 Ų
H-bond donors / acceptors
1 / 11
Rotatable bonds
9

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
125401-92-5
SMILES
COc1cc(OC)nc(Oc2cccc(Oc3nc(OC)cc(OC)n3)c2C([O-])=O)n1.[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

Weigh it out

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

Names and synonyms

11 names
  • Benzoic acid, 2,6-bis[(4,6-dimethoxy-2-pyrimidinyl)oxy]-, sodium salt (1:1)
  • Benzoic acid, 2,6-bis[(4,6-dimethoxy-2-pyrimidinyl)oxy]-, sodium salt
  • KIH 2023
  • V 10029
  • Nominee
  • Regiment
  • Designee
  • Short-keep
  • Nominee 400SC
  • Adora
  • Nominee KZ

Work with Bispyribac-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

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.

Bispyribac125401-75-4Free acid

Similar compounds

Pyrithiobac sodium123343-16-857 % similar Pyribenzoxim168088-61-754 % similar 2,4,6-Trimethoxypyrimidine13106-85-939 % similar 2,6-Dimethoxypyrimidine-4-carboxylic acid59864-30-135 % similar 2-Chloro-4,6-dimethoxypyrimidine13223-25-135 % similar Sodium m-fluorobenzoate499-57-035 % similar 1-(2,6-Dimethoxyphenyl)ethanone2040-04-234 % similar 4-Chloro-2,6-dimethoxypyrimidine6320-15-634 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook