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2D Structure
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

2D Structure

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 Weight 507.9 g/mol
Molecular Formula C25H22ClN5O5
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area124
Heavy Atom Count36
Formal Charge0
Complexity826
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Drug and Medication Information
4.1 Drug Indication

Treatment of unexplained or refractory chronic cough