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Repirinast

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Chemistry

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Also known as: 73080-51-0, Romet, My-5116, Isopentyl 7,8-dimethyl-4,5-dioxo-5,6-dihydro-4h-pyrano[3,2-c]quinoline-2-carboxylate, 3-methylbutyl 7,8-dimethyl-4,5-dioxo-6h-pyrano[3,2-c]quinoline-2-carboxylate, 4k8ka8b61g

Molecular Formula

C₂₀H₂₁NO₅

Molecular Weight

355.4 g/mol

InChI Key

NFQIAEMCQGTTIR-UHFFFAOYSA-N

FDA UNII

4K8KA8B61G

1 2D Structure

Repirinast

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-methylbutyl 7,8-dimethyl-4,5-dioxo-6H-pyrano[3,2-c]quinoline-2-carboxylate

2.1.2 InChI

InChI=1S/C20H21NO5/c1-10(2)7-8-25-20(24)15-9-14(22)16-18(26-15)13-6-5-11(3)12(4)17(13)21-19(16)23/h5-6,9-10H,7-8H2,1-4H3,(H,21,23)

2.1.3 InChI Key

NFQIAEMCQGTTIR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C2=C(C=C1)C3=C(C(=O)C=C(O3)C(=O)OCCC(C)C)C(=O)N2)C

2.2 Other Identifiers

2.2.1 UNII

4K8KA8B61G

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Isoamyl 5,6-dihydro-7,8-dimethyl-4,5-dioxo-4h-pyrano(3,2-c)quinoline -2-carboxylate

2. My 5116

3. My-5116

2.3.2 Depositor-Supplied Synonyms

1. 73080-51-0

2. Romet

3. My-5116

4. Isopentyl 7,8-dimethyl-4,5-dioxo-5,6-dihydro-4h-pyrano[3,2-c]quinoline-2-carboxylate

5. 3-methylbutyl 7,8-dimethyl-4,5-dioxo-6h-pyrano[3,2-c]quinoline-2-carboxylate

6. 4k8ka8b61g

7. Repirinastum

8. Repirinastum [inn-latin]

9. 3-methylbutyl 5-hydroxy-7,8-dimethyl-4-oxopyrano[3,2-c]quinoline-2-carboxylate

10. Repirinast [usan:inn:jan]

11. Brn 4267921

12. Unii-4k8ka8b61g

13. Repirinast-[d4]

14. Isoamyl 5,6-dihydro-7,8-dimethyl-4,5-dioxo-4h-pyrano(3,2-c)quinoline-2-carboxylate

15. Romet (tn)

16. Repirinast [mi]

17. Repirinast [inn]

18. Repirinast [jan]

19. Repirinast [usan]

20. Repirinast [mart.]

21. Isopentyl 5,6-dihydro-7,8-dimethyl-4,5-dioxo-4h-pyrano(3,2-c)quinoline-2-carboxylate

22. Repirinast [who-dd]

23. Schembl29997

24. Repirinast (jan/usan/inn)

25. Chembl2105300

26. Chebi:32092

27. Dtxsid10223349

28. Zinc538285

29. Bcp16315

30. Ex-a3508

31. My5116

32. Akos016014130

33. Ac-5020

34. 4h-pyrano(3,2-c)quinoline-2-carboxylic Acid, 5,6-dihydro-7,8-dimethyl-4,5-dioxo-, 3-methylbutyl Ester

35. 4h-pyrano(3,2-c)quinoline-2-carboxylic Acid, 5,6-dihydro-7,8-dimethyl-4,5-dioxo-, Isopentyl Ester

36. Db-055720

37. Hy-109544

38. Cs-0031286

39. Ft-0630818

40. D01890

41. 080r510

42. A837709

43. Q7314016

2.4 Create Date

2005-03-25

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₁NO₅
Molecular Weight	355.4 g/mol
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	355.14197277 g/mol
Monoisotopic Mass	355.14197277 g/mol
Topological Polar Surface Area	81.7 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	690
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	1

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Immunosuppressive Agents

Agents that suppress immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-CELLS or by inhibiting the activation of HELPER CELLS. While immunosuppression has been brought about in the past primarily to prevent rejection of transplanted organs, new applications involving mediation of the effects of INTERLEUKINS and other CYTOKINES are emerging. (See all compounds classified as Immunosuppressive Agents.)

Histamine Antagonists

Drugs that bind to but do not activate histamine receptors, thereby blocking the actions of histamine or histamine agonists. Classical antihistaminics block the histamine H1 receptors only. (See all compounds classified as Histamine Antagonists.)

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