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Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

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Also known as: 1044870-39-4, Rvx-208, 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3h)-one, Rvx-000222, Rvx 208, Rvx000222

Molecular Formula

C₂₀H₂₂N₂O₅

Molecular Weight

370.4 g/mol

InChI Key

NETXMUIMUZJUTB-UHFFFAOYSA-N

FDA UNII

8R4A7GDZ1D

Apabetalone has been investigated for the treatment of Diabetes, Atherosclerosis, and Coronary Artery Disease.

1 2D Structure

Apabetalone

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxy-3H-quinazolin-4-one

2.1.2 InChI

InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)

2.1.3 InChI Key

NETXMUIMUZJUTB-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2

2.2 Other Identifiers

2.2.1 UNII

8R4A7GDZ1D

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxy-4(1h)-quinazolinone

2. 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3h)-one

3. Rvx 000222

4. Rvx 208

5. Rvx-000222

6. Rvx-208

7. Rvx000222

8. Rvx208

2.3.2 Depositor-Supplied Synonyms

1. 1044870-39-4

2. Rvx-208

3. 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3h)-one

4. Rvx-000222

5. Rvx 208

6. Rvx000222

7. Apabetalone [inn]

8. 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3h)-one

9. Rvx 000222

10. 8r4a7gdz1d

11. 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxy-1h-quinazolin-4-one

12. 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxy-3h-quinazolin-4-one

13. Apabetalone [usan:inn]

14. Unii-8r4a7gdz1d

15. Rvx208

16. 1k0

17. Qc-216

18. 4j1p

19. 4j3i

20. 4mr4

21. 4mr6

22. Apabetalone (usan/inn)

23. Apabetalone [usan]

24. Apabetalone [who-dd]

25. Schembl145019

26. Gtpl7034

27. Schembl17002023

28. Dtxsid90146502

29. Hms3653c10

30. Hms3744m09

31. Hms3886d13

32. Bcp07787

33. Ex-a1110

34. Mfcd18633270

35. Nsc771600

36. S7295

37. Zinc43199551

38. Akos016008772

39. Akos026750505

40. Ccg-268298

41. Cs-3239

42. Db12000

43. Nsc-771600

44. Sb17171

45. 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxy-4(1h)-quinazolinone

46. Ncgc00356073-09

47. Ncgc00356073-11

48. Ac-28201

49. As-35133

50. Bp-23380

51. Hy-16652

52. Rvx-208(rvx-000222)

53. Sw219327-1

54. D11131

55. J-001182

56. Q21099554

57. 2-[4-(2-hydroxy-ethoxy)-3,5-dimethyl-phenyl]-5,7-dimethoxy-3h-quinazolin-4-one

58. 2-[4-(2-hydroxyethoxy)-3,5-dimethyl-phenyl]-5,7-dimethoxy-3h-quinazolin-4-one

59. 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxy-1,4-dihydroquinazolin-4-one

2.4 Create Date

2019-01-15

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₂N₂O₅
Molecular Weight	370.4 g/mol
XLogP3	2.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	370.15287181 g/mol
Monoisotopic Mass	370.15287181 g/mol
Topological Polar Surface Area	89.4 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	543
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