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Nedocromil Sodium

Synopsis, Chemistry

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Also known as: 69049-74-7, Tilade, Alocril, Fpl 59002kp, Nedocromil sodium [usan], Rapitil

Molecular Formula

C₁₉H₁₅NNa₂O₇

Molecular Weight

415.3 g/mol

InChI Key

JQEKDNLKIVGXAU-UHFFFAOYSA-L

FDA UNII

ET8IF4KS1T

A pyranoquinolone derivative that inhibits activation of inflammatory cells which are associated with ASTHMA, including EOSINOPHILS; NEUTROPHILS; MACROPHAGES; MAST CELLS; MONOCYTES; AND PLATELETS.

1 2D Structure

Nedocromil Sodium

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

disodium;9-ethyl-4,6-dioxo-10-propylpyrano[3,2-g]quinoline-2,8-dicarboxylate

2.1.2 InChI

InChI=1S/C19H17NO7.2Na/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);;/q;2*+1/p-2

2.1.3 InChI Key

JQEKDNLKIVGXAU-UHFFFAOYSA-L

2.1.4 Canonical SMILES

CCCC1=C2C(=CC3=C1OC(=CC3=O)C(=O)[O-])C(=O)C=C(N2CC)C(=O)[O-].[Na+].[Na+]

2.2 Other Identifiers

2.2.1 UNII

ET8IF4KS1T

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 9-ethyl-6,9-dihydro-4,6-dioxo-10-propyl-4h-pyrano(3,2-g)quinoline-2,8-dicarboxylic Acid

2. Alocril

3. Brionil

4. Calcium, Nedocromil

5. Cetimil

6. Fpl 59002

7. Fpl-59002

8. Fpl59002

9. Halamid

10. Irtan

11. Nedocromil

12. Nedocromil Calcium

13. Nedocromil, Calcium Salt (1:1)

14. Nedocromil, Disodium Salt

15. Nedocromil, Disodium Salt, Hydrate

16. Rapitil

17. Sodium, Nedocromil

18. Tilad

19. Tilade

20. Tilaire

21. Tilavist

2.3.2 Depositor-Supplied Synonyms

1. 69049-74-7

2. Tilade

3. Alocril

4. Fpl 59002kp

5. Nedocromil Sodium [usan]

6. Rapitil

7. Tilarin

8. Tayled

9. Fpl-59002kp

10. Nedocromil Disodium Salt

11. Et8if4ks1t

12. Chebi:7493

13. Sodium 9-ethyl-4,6-dioxo-10-propyl-6,9-dihydro-4h-pyrano[3,2-g]quinoline-2,8-dicarboxylate

14. Nedocromil Sodium (usan)

15. Disodium;9-ethyl-4,6-dioxo-10-propylpyrano[3,2-g]quinoline-2,8-dicarboxylate

16. 4h-pyrano(3,2-g)quinoline-2,8-dicarboxylic Acid, 9-ethyl-6,9-dihydro-4,6-dioxo-10-propyl-, Disodium Salt

17. Unii-et8if4ks1t

18. Abrevia

19. Tilavist

20. Alocril (tn)

21. Tilade (tn)

22. Chembl915

23. Disodium-9-ethyl-6,9-dihydro-4,6-dioxo-10-propyl-4h-pyrano(3,2-g)quinoline-2,8-dicarboxylate

24. Schembl24944

25. Nedocromil Sodium [jan]

26. Dtxsid00219115

27. Nedocromil Sodium [vandf]

28. Nedocromil Sodium [mart.]

29. Nedocromil Sodium [who-dd]

30. Nedocromil Disodium Salt [mi]

31. Akos015909770

32. Nedocromil Sodium [orange Book]

33. As-83242

34. Hy-16344

35. Cs-0006296

36. Ft-0603491

37. D00527

38. A915577

39. Q27107508

40. 4h-pyrano(3,2-g)quinoline-2,8-dicarboxylic Acid, 9-ethyl-6,9-dihydro-4,6-dioxo-10-propyl-, Sodium Salt (1:2)

41. Disodium 9-ethyl-4,6-dioxo-10-propyl-6,9-dihydro-4h-pyrano[3,2-g]quinoline-2,8-dicarboxylate

42. Disodium 9-ethyl-6,9-dihydro-4,6-dioxo-10-propyl-4h-pyrano-[3,2-g]-quinoline-2,8-dicarboxylate

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₁₅NNa₂O₇
Molecular Weight	415.3 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Exact Mass	415.06439038 g/mol
Monoisotopic Mass	415.06439038 g/mol
Topological Polar Surface Area	127 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	742
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3

4 Drug and Medication Information

4.1 Drug Information

1 of 4
Drug Name	Alocril
PubMed Health	Nedocromil
Drug Classes	Antiasthma, Mast Cell Stabilizer, Ophthalmologic Agent
Drug Label	ALOCRIL (nedocromil sodium ophthalmic solution) 2% is a clear, yellow, sterile solution for topical ophthalmic use.Nedocromil sodium is represented by the following structural formula:...
Active Ingredient	Nedocromil sodium
Dosage Form	Solution/drops
Route	Ophthalmic
Strength	2%
Market Status	Prescription
Company	Allergan

2 of 4
Drug Name	Nedocromil sodium
Drug Label	ALOCRIL (nedocromil sodium ophthalmic solution) 2% is a clear, yellow, sterile solution for topical ophthalmic use.Nedocromil sodium is represented by the following structural formula:...
Active Ingredient	Nedocromil sodium
Dosage Form	Solution/drops
Route	Ophthalmic
Strength	2%
Market Status	Prescription
Company	Akorn

3 of 4
Drug Name	Alocril
PubMed Health	Nedocromil
Drug Classes	Antiasthma, Mast Cell Stabilizer, Ophthalmologic Agent
Drug Label	ALOCRIL (nedocromil sodium ophthalmic solution) 2% is a clear, yellow, sterile solution for topical ophthalmic use.Nedocromil sodium is represented by the following structural formula:...
Active Ingredient	Nedocromil sodium
Dosage Form	Solution/drops
Route	Ophthalmic
Strength	2%
Market Status	Prescription
Company	Allergan

4 of 4
Drug Name	Nedocromil sodium
Drug Label	ALOCRIL (nedocromil sodium ophthalmic solution) 2% is a clear, yellow, sterile solution for topical ophthalmic use.Nedocromil sodium is represented by the following structural formula:...
Active Ingredient	Nedocromil sodium
Dosage Form	Solution/drops
Route	Ophthalmic
Strength	2%
Market Status	Prescription
Company	Akorn

5 Pharmacology and Biochemistry

5.1 MeSH Pharmacological Classification

Anti-Asthmatic Agents

Drugs that are used to treat asthma. (See all compounds classified as Anti-Asthmatic Agents.)

Anti-Allergic Agents

Agents that are used to treat allergic reactions. Most of these drugs act by preventing the release of inflammatory mediators or inhibiting the actions of released mediators on their target cells. (From AMA Drug Evaluations Annual, 1994, p475) (See all compounds classified as Anti-Allergic Agents.)

Anti-Inflammatory Agents

Substances that reduce or suppress INFLAMMATION. (See all compounds classified as Anti-Inflammatory Agents.)

Mast Cell Stabilizers

Compounds that prevent the release of inflammatory mediators from MAST CELLS. (See all compounds classified as Mast Cell Stabilizers.)

5.2 FDA Pharmacological Classification

5.2.1 Pharmacological Classes

Mast Cell Stabilizer [EPC]; Decreased Histamine Release [PE]