chempirical

Nedocromil

C19H17NO7CAS 69049-73-6371.35 g/mol

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OOOHOOOHON
Carboxylic acid

Properties

Molecular formula
C19H17NO7
Molar mass
371.35 g/mol
Exact mass
371.1005 Da
Melting point
299 °C (decomposes)
logP
2.48Crippen estimate
Polar surface area
126.8 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
5

Identifiers

CAS number
69049-73-6
SMILES
CCCc1c2oc(C(=O)O)cc(=O)c2cc2c(=O)cc(C(=O)O)n(CC)c12
InChIKey
RQTOOFIXOKYGAN-UHFFFAOYSA-N
InChI
InChI=1S/C19H17NO7/c1-3-5-9-16-10(13(21)7-12(18(23)24)20(16)4-2)6-11-14(22)8-15(19(25)26)27-17(9)11/h6-8H,3-5H2,1-2H3,(H,23,24)(H,25,26)

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Names and synonyms

3 names
  • 4H-Pyrano[3,2-g]quinoline-2,8-dicarboxylic acid, 9-ethyl-6,9-dihydro-4,6-dioxo-10-propyl-
  • 9-Ethyl-6,9-dihydro-4,6-dioxo-10-propyl-4H-pyrano[3,2-g]quinoline-2,8-dicarboxylic acid
  • FPL 59002

Work with Nedocromil

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

4-Oxo-4H-1-benzopyran-2-carboxylic acid4940-39-037 % similar 6-Chloro-4-oxo-4H-1-benzopyran-2-carboxylic acid5006-45-135 % similar 6-Fluoro-4-oxo-4H-1-benzopyran-2-carboxylic acid99199-59-435 % similar 1-Methyl-3-propyl-1H-pyrazole-5-carboxylic acid139755-99-034 % similar Cromolyn16110-51-331 % similar

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

Elsewhere

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