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

C₁₁H₁₀NNaO₅SCAS 29197-94-2291.25 g/mol

Open in Covalent MOL file

Secondary amine Sulfonic 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 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 3

Identifiers

CAS number

29197-94-2

SMILES

Cc1cc(=O)oc2cc(NCS([O-])(=O)=O)ccc12.[Na+]

InChIKey

JDPDVEXONMDODL-UHFFFAOYSA-N

InChI

InChI=1S/C11H11NO5S.Na/c1-7-4-11(13)17-10-5-8(2-3-9(7)10)12-6-18(14,15)16;/h2-5,12H,6H2,1H3,(H,14,15,16);

Weigh it out

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

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 Coumarin 191-44-144 % 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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