Daprodustat

Synopsis, Chemistry

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Also known as: 960539-70-2, Gsk1278863, Gsk-1278863, N-((1,3-dicyclohexylhexahydro-2,4,6-trioxopyrimidin-5-yl)carbonyl)glycine, Gsk 1278863, Jvr38zm64b

Molecular Formula

C₁₉H₂₇N₃O₆

Molecular Weight

393.4 g/mol

InChI Key

RUEYEZADQJCKGV-UHFFFAOYSA-N

FDA UNII

JVR38ZM64B

Daprodustat has been used in trials studying the other, treatment, and basic science of Anaemia, Wound Healing, Tendon Injuries, Surgical Procedures, and Vascular Disease, Peripheral.

1 2D Structure

Daprodustat

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinane-5-carbonyl)amino]acetic acid

2.1.2 InChI

InChI=1S/C19H27N3O6/c23-14(24)11-20-16(25)15-17(26)21(12-7-3-1-4-8-12)19(28)22(18(15)27)13-9-5-2-6-10-13/h12-13,15H,1-11H2,(H,20,25)(H,23,24)

2.1.3 InChI Key

RUEYEZADQJCKGV-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CCC(CC1)N2C(=O)C(C(=O)N(C2=O)C3CCCCC3)C(=O)NCC(=O)O

2.2 Other Identifiers

2.2.1 UNII

JVR38ZM64B

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2-(1,3-dicyclohexyl-6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamido)acetic Acid

2. Gsk1278863

2.3.2 Depositor-Supplied Synonyms

1. 960539-70-2

2. Gsk1278863

3. Gsk-1278863

4. N-((1,3-dicyclohexylhexahydro-2,4,6-trioxopyrimidin-5-yl)carbonyl)glycine

5. Gsk 1278863

6. Jvr38zm64b

7. 2-[(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl)formamido]acetic Acid

8. Glycine, N-((1,3-dicyclohexylhexahydro-2,4,6-trioxo-5-pyrimidinyl)carbonyl)-

9. Duvroq

10. (1,3-dicyclohexyl-2,4,6-trioxohexahydropyrimidine-5-carbonyl)glycine

11. 2-[(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinane-5-carbonyl)amino]acetic Acid

12. Daprodustat [usan:inn]

13. Unii-jvr38zm64b

14. Duvroq (tn)

15. Daprodustat [inn]

16. Daprodustat [jan]

17. Daprodustat [usan]

18. Daprodustat [who-dd]

19. Daprodustat; Gsk1278863

20. Daprodustat (jan/usan/inn)

21. Gtpl8455

22. Daprodustat (gsk1278863)

23. Chembl3544988

24. Schembl21725048

25. Dtxsid501337360

26. Amy27907

27. Bcp16766

28. Ex-a1121

29. Mfcd29924726

30. S8171

31. Akos027439964

32. Zinc231226004

33. Ccg-268574

34. Cs-5453

35. Db11682

36. Sb19761

37. Ac-30915

38. Bg166670

39. Hy-17608

40. Db-096637

41. J3.560.573h

42. D10874

43. A902761

44. Q27076986

45. Daprodustat;(1,3-dicyclohexyl-2,4,6-trioxohexahydropyrimidine-5-carbonyl)glycine

2.4 Create Date

2015-03-18

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₂₇N₃O₆
Molecular Weight	393.4 g/mol
XLogP3	2.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	393.18998559 g/mol
Monoisotopic Mass	393.18998559 g/mol
Topological Polar Surface Area	124 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	627
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