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Also known as: 28888-44-0, 6,7-dimethoxyquinazoline-2,4-dione, 2,4-dihydroxy-6,7-dimethoxyquinazoline, 6,7-dimethoxyquinazoline-2,4-diol, 6,7-dimethoxy-1h-quinazoline-2,4-dione, 6,7-dimethoxy-2,4-quinazolinedione
Molecular Formula
C10H10N2O4
Molecular Weight
222.20  g/mol
InChI Key
KWNQIIMVPSMYEM-UHFFFAOYSA-N
FDA UNII
K7867Z125J

28888-44-0
1 2D Structure

28888-44-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
6,7-dimethoxy-1H-quinazoline-2,4-dione
2.1.2 InChI
InChI=1S/C10H10N2O4/c1-15-7-3-5-6(4-8(7)16-2)11-10(14)12-9(5)13/h3-4H,1-2H3,(H2,11,12,13,14)
2.1.3 InChI Key
KWNQIIMVPSMYEM-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=C(C=C2C(=C1)C(=O)NC(=O)N2)OC
2.2 Other Identifiers
2.2.1 UNII
K7867Z125J
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 28888-44-0

2. 6,7-dimethoxyquinazoline-2,4-dione

3. 2,4-dihydroxy-6,7-dimethoxyquinazoline

4. 6,7-dimethoxyquinazoline-2,4-diol

5. 6,7-dimethoxy-1h-quinazoline-2,4-dione

6. 6,7-dimethoxy-2,4-quinazolinedione

7. 2,4(1h,3h)-quinazolinedione, 6,7-dimethoxy-

8. 6,7-dimethoxy-2,4(1h,3h)-quinazolinedione

9. 6,7-dimethoxy-(1h,3h)-2,4-quinazolindione

10. 2888-44-0

11. 6,7-dimethoxy-1,2,3,4-tetrahydroquinazoline-2,4-dione

12. K7867z125j

13. Ncgc00160264-01

14. Dsstox_cid_26100

15. Dsstox_rid_81338

16. Dsstox_gsid_46100

17. Cas-28888-44-0

18. Quinazolindione

19. Unii-k7867z125j

20. Einecs 249-288-1

21. 2,4-dihydroxy-6,7-dimethoxquinazoline

22. Doxazosin Impurity D

23. Oprea1_517280

24. Amy244

25. Schembl2330774

26. Chembl1403860

27. Dtxsid9046100

28. Zinc120622

29. Bcp09514

30. Doxazosin Related Compound B

31. Tox21_111752

32. Bbl028249

33. Mfcd00023889

34. Stk400208

35. Stl083699

36. 6,7-dimethoxy-quinazoline-2,4-diol

37. 6,7-dimethoxy Quinazoline-2,4-dione

38. Akos000120307

39. Akos005712782

40. Tox21_111752_1

41. 6,7-dimethoxy-2,4-quinazolinediol #

42. Ac-8386

43. Bs-4302

44. Dimethoxy-2,4(1h,3h)-quinazolinedione

45. Ncgc00263562-01

46. Quinazoline-2,4-diol, 6,7-dimethoxy-

47. 2,4-dihydroxy-6,7-dimethoxy Quinazoline

48. 6,7-dimethoxy-2,4-dihydroxy Quinazoline

49. 6,7-dimethoxy-2,4-quinazolinedione, 97%

50. Db-019954

51. A5439

52. Cs-0016028

53. D1839

54. Ft-0620865

55. Doxazosin Related Compound B [usp-rs]

56. 88d440

57. 1,2-bis(diphenylphosphino)ethanemonooxide

58. 888d440

59. Sr-01000945181

60. Doxazosin Mesilate Impurity D [ep Impurity]

61. Sr-01000945181-1

62. W-107022

63. 3-methyl-4-oxo-2-phenyl-4h-chromene-8-carbonitrile

64. Q27282043

65. Usp Doxazosin Related Compound B [usp Impurity]

66. Ncgc00160264-01!6,7-dimethoxy-quinazoline-2,4-diol

67. Doxazosin Impurity D, European Pharmacopoeia (ep) Reference Standard

68. Doxazosin Related Compound B, United States Pharmacopeia (usp) Reference Standard

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 222.20 g/mol
Molecular Formula C10H10N2O4
XLogP30.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass222.06405680 g/mol
Monoisotopic Mass222.06405680 g/mol
Topological Polar Surface Area76.7 Ų
Heavy Atom Count16
Formal Charge0
Complexity307
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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