Sulfadimethoxine sodium

C12H13N4NaO4SCAS 1037-50-9332.31 g/mol

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ON−SOONH2NONNa+
EtherPrimary amineSulfonamide

Properties

Molecular formula
C12H13N4NaO4S
Molar mass
332.31 g/mol
Exact mass
332.0555 Da
logP
0.50Crippen estimate
Polar surface area
116.4 Ų
H-bond donors / acceptors
2 / 7
Rotatable bonds
5

Hazards

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

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Identifiers

CAS number
1037-50-9
SMILES
COc1cc([N-]S(=O)(=O)c2ccc(N)cc2)nc(OC)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.

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Names and synonyms

6 names
  • Sulfanilamide, N1-(2,6-dimethoxy-4-pyrimidinyl)-, monosodium salt
  • Benzenesulfonamide, 4-amino-N-(2,6-dimethoxy-4-pyrimidinyl)-, monosodium salt
  • Sodium, [N1-(2,6-dimethoxy-4-pyrimidinyl)sulfanilamido]-
  • Sodium sulfadimethoxine
  • Sulfadimethoxine sodium salt
  • Benzenesulfonamide, 4-amino-N-(2,6-dimethoxy-4-pyrimidinyl)-, sodium salt (1:1)

Work with Sulfadimethoxine 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.

Sulfadimethoxine122-11-2Free acid

Similar compounds

Sulfadimidine sodium1981-58-452 % similar Sodium sulfamethoxazole4563-84-252 % similar Sulfaquinoxaline sodium967-80-649 % similar Sulfachloropyridazine sodium23282-55-548 % similar Monosodium 2-sulfanilamido-4-methylpyrimidine127-58-246 % similar Sulfadiazine sodium547-32-046 % similar Sodium sulfathiazole144-74-144 % similar Sodium sulfacetamide127-56-042 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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