Cromolyn

C23H16O11CAS 16110-51-3468.37 g/mol

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OHOOOOHOOOOHOO
AlcoholCarboxylic acidEther

Properties

Molecular formula
C23H16O11
Molar mass
468.37 g/mol
Exact mass
468.0693 Da
Melting point
241–242 °C (decomposes)
pKa
1.1
logP
2.11Crippen estimate
Polar surface area
173.7 Ų
H-bond donors / acceptors
3 / 9
Rotatable bonds
8

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
16110-51-3
SMILES
O=C(O)c1cc(=O)c2c(OCC(O)COc3cccc4oc(C(=O)O)cc(=O)c34)cccc2o1
InChIKey
IMZMKUWMOSJXDT-UHFFFAOYSA-N
InChI
InChI=1S/C23H16O11/c24-11(9-31-14-3-1-5-16-20(14)12(25)7-18(33-16)22(27)28)10-32-15-4-2-6-17-21(15)13(26)8-19(34-17)23(29)30/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30)

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Names and synonyms

14 names · show all
  • 4H-1-Benzopyran-2-carboxylic acid, 5,5′-[(2-hydroxy-1,3-propanediyl)bis(oxy)]bis[4-oxo-
  • 4H-1-Benzopyran-2-carboxylic acid, 5,5′-[(2-hydroxytrimethylene)dioxy]bis[4-oxo-
  • 5,5′-[(2-Hydroxy-1,3-propanediyl)bis(oxy)]bis[4-oxo-4H-1-benzopyran-2-carboxylic acid]
  • Cromoglicic acid
  • 5,5′-(2-Hydroxytrimethylenedioxy)bis[4-oxo-4H-1-benzopyran-2-carboxylic acid]
  • Cromoglycic acid
  • 5,5′-(2-Hydroxy-1,3-propanediyldioxy)bis(4-oxo-4H-1-benzopyran-2-carboxylic acid)
  • 5,5′-(2-Hydroxytrimethylenedioxy)bis(4-oxochromene-2-carboxylic acid)
  • 1,3-Bis(2-carboxychromon-5-yloxy)-2-hydroxypropane
  • 1,3-Di(2-carboxy-4-oxochromen-5-yloxy)propan-2-ol
  • 1,3-Bis(2-carboxychromon-5-yloxy)propan-2-ol
  • Duracroman
  • 1,3-Bis(2-carboxychromone-7-yloxy)-2-hydroxypropane
  • TS 277

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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.

Disodium cromoglycate15826-37-6Salt

Similar compounds

4-Oxo-4H-1-benzopyran-2-carboxylic acid4940-39-050 % similar 6-Chloro-4-oxo-4H-1-benzopyran-2-carboxylic acid5006-45-144 % similar 2-Benzofurancarboxylic acid496-41-342 % similar 6-Bromochromone-2-carboxylic acid51484-06-142 % similar 7-Ethoxybenzofuran-2-carboxylic acid206559-61-741 % similar 6-Methylchromone-2-carboxylic acid5006-44-041 % similar 6-Fluoro-4-oxo-4H-1-benzopyran-2-carboxylic acid99199-59-441 % similar 7-Methoxy-1-benzofuran-2-carboxylic acid4790-79-839 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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