7-[(Sulfomethyl)amino]-4-methylcoumarin sodium salt

C11H10NNaO5SCAS 29197-94-2291.25 g/mol

Open in Covalent MOL file
OONHSO−OONa+
Secondary amineSulfonic acid

Properties

Molecular formula
C11H10NNaO5S
Molar mass
291.25 g/mol
Exact mass
291.0177 Da
logP
0.98Crippen estimate
Polar surface area
96.6 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
3

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
29197-94-2
SMILES
Cc1cc(=O)oc2cc(NCS([O-])(=O)=O)ccc12.[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
  • Methanesulfonic acid, 1-[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)amino]-, sodium salt (1:1)
  • Coumarin, 4-methyl-7-[(sulfomethyl)amino]-, monosodium salt
  • Methanesulfonic acid, [(4-methyl-2-oxo-2H-1-benzopyran-7-yl)amino]-, monosodium salt
  • Coumarin, 4-methyl-7-[(sulfomethyl)amino]-, sodium salt
  • Coumarin 175
  • NSC 338965

Work with 7-[(Sulfomethyl)amino]-4-methylcoumarin sodium salt

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

2H-1-Benzopyran-2-one, 4-methyl-7-(phosphonooxy)-, sodium salt (1:2)22919-26-249 % similar Potassium 4-methylumbelliferone sulfate15220-11-847 % similar 7-Amino-4-methylcoumarin26093-31-245 % similar 4-Methylumbelliferone90-33-545 % similar 7-Ethoxy-4-methylcoumarin87-05-844 % similar 4-Methyl-7-diethylaminocoumarin91-44-144 % similar 7-Methoxy-4-methylcoumarin2555-28-443 % similar DAMC87-01-443 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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