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Also known as: 2414285-40-6, Sivopixant [inn], S0n1veg94i, S-600918, Unii-s0n1veg94i, (2s)-3-[3-[(4-chlorophenyl)methyl]-2,6-dioxo-4-(4-pyridin-2-yloxyanilino)-1,3,5-triazin-1-yl]-2-methylpropanoic acid

Molecular Formula

C₂₅H₂₂ClN₅O₅

Molecular Weight

507.9 g/mol

InChI Key

SKZQFKBIJUXXCG-INIZCTEOSA-N

FDA UNII

S0N1VEG94I

CHEMBL5084939 is a Unknown drug.

1 2D Structure

Sivopixant

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-3-[3-[(4-chlorophenyl)methyl]-2,6-dioxo-4-(4-pyridin-2-yloxyanilino)-1,3,5-triazin-1-yl]-2-methylpropanoic acid

2.1.2 InChI

InChI=1S/C25H22ClN5O5/c1-16(22(32)33)14-31-24(34)29-23(30(25(31)35)15-17-5-7-18(26)8-6-17)28-19-9-11-20(12-10-19)36-21-4-2-3-13-27-21/h2-13,16H,14-15H2,1H3,(H,32,33)(H,28,29,34)/t16-/m0/s1

2.1.3 InChI Key

SKZQFKBIJUXXCG-INIZCTEOSA-N

2.2 Other Identifiers

2.2.1 UNII

S0N1VEG94I

2.3 Synonyms

2.3.1 MeSH Synonyms

1. (2s)-3-(3-((4-chlorophenyl)methyl)-2,6-dioxo-4-(4-pyridin-2-yloxyanilino)-1,3,5-triazin-1-yl)-2-methylpropanoic Acid

2.3.2 Depositor-Supplied Synonyms

1. 2414285-40-6

2. Sivopixant [inn]

3. S0n1veg94i

4. S-600918

5. Unii-s0n1veg94i

6. (2s)-3-[3-[(4-chlorophenyl)methyl]-2,6-dioxo-4-(4-pyridin-2-yloxyanilino)-1,3,5-triazin-1-yl]-2-methylpropanoic Acid

7. Compound 28 [pmid: 34587541]

8. 1,3,5-triazine-1(2h)-propanoic Acid, 3-((4-chlorophenyl)methyl)tetrahydro-alpha-methyl-2,6-dioxo-4-((4-(2-pyridinyloxy)phenyl)imino)-, (alphas,4e)-

9. Compound 28 (pmid: 34587541)

10. 1,3,5-triazine-1(2h)-propanoic Acid, 3-((4-chlorophenyl)methyl)tetrahydro-.alpha.-methyl-2,6-dioxo-4-((4-(2-pyridinyloxy)phenyl)imino)-, (.alpha.s,4e)-

11. (2s)-3-(3-((4-chlorophenyl)methyl)-2,6-dioxo-4-(4-pyridin-2-yloxyanilino)-1,3,5-triazin-1-yl)-2-methylpropanoic Acid

12. (e/z)-sivopixant

13. 1640808-39-4

14. Sivopixant?

15. Sivopixant (jan/inn)

16. Chembl5084939

17. Schembl16309814

18. Schembl23716843

19. Gtpl11756

20. Bdbm271626

21. Ex-a5402

22. Akos040757726

23. Akos040759920

24. Hy-137451a

25. Us10065941, Compound I-127

26. Ac-37122

27. Da-57909

28. Ms-29437

29. Hy-137451

30. Cs-0138657

31. Cs-0146664

32. D12355

33. G17804

34. (s,e)-3-(3-(4-chlorobenzyl)-2,6-dioxo-4-((4-(pyridin-2-yloxy)phenyl)imino)-1,3,5-triazinan-1-yl)-2-methylpropanoic Acid

2.4 Create Date

2016-02-23

3 Chemical and Physical Properties

Molecular Formula	C₂₅H₂₂ClN₅O₅
Molecular Weight	507.9 g/mol
XLogP3	3.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	124
Heavy Atom Count	36
Formal Charge	0
Complexity	826
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Drug and Medication Information

4.1 Drug Indication

Treatment of unexplained or refractory chronic cough

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