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Synopsis

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Chemistry

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Also known as: 5,5-diallylbarbituric acid, 52-43-7, Diallylbarbital, Allobarbitone, Allylbarbitural, Barbidal

Molecular Formula

C₁₀H₁₂N₂O₃

Molecular Weight

208.21 g/mol

InChI Key

FDQGNLOWMMVRQL-UHFFFAOYSA-N

FDA UNII

8NT43GG2HA

1 2D Structure

Allobarbital

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione

2.1.2 InChI

InChI=1S/C10H12N2O3/c1-3-5-10(6-4-2)7(13)11-9(15)12-8(10)14/h3-4H,1-2,5-6H2,(H2,11,12,13,14,15)

2.1.3 InChI Key

FDQGNLOWMMVRQL-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C=CCC1(C(=O)NC(=O)NC1=O)CC=C

2.2 Other Identifiers

2.2.1 UNII

8NT43GG2HA

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 5,5-diallylbarbituric Acid

2. Allobarbitone

3. Diallyl Barbituric Acid

4. Diallylbarbital

5. Diallylbarbituric Acid

6. Diallylmal

2.3.2 Depositor-Supplied Synonyms

1. 5,5-diallylbarbituric Acid

2. 52-43-7

3. Diallylbarbital

4. Allobarbitone

5. Allylbarbitural

6. Barbidal

7. Diallymal

8. Diallylbarbituric Acid

9. Barballyl

10. Dormallyl

11. Novallyl

12. Curral

13. Diadol

14. Malilum

15. Alnox

16. Malil

17. Dorm

18. Allbarbital

19. Alobarbital

20. Dial (barbiturate)

21. Dialog

22. Diallylbarbiturate

23. Nsc-9324

24. Barbituric Acid, 5,5-diallyl-

25. 5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione

26. 2,4,6(1h,3h,5h)-pyrimidinetrione, 5,5-di-2-propenyl-

27. 8nt43gg2ha

28. 5,5-di-2-propenyl-2,4,6(1h,3h,5h)-pyrimidinetrione

29. Diallymalum

30. Allobarbitale [dcit]

31. Allobarbitale

32. Allobarbitalum

33. 5,5-diallylbarbitursaeure

34. Allobarbital [usan:inn]

35. Nsc 9324

36. Allobarbitalum [inn-latin]

37. Ccris 7087

38. Go 1058

39. Einecs 200-140-4

40. Unii-8nt43gg2ha

41. Allybarbitural

42. Ai3-02725

43. Allobarbital [mi]

44. Allobarbital (usan/inn)

45. Allobarbital [inn]

46. Allobarbital [usan]

47. Barbituric Acid,5-diallyl-

48. Schembl35976

49. Allobarbital [mart.]

50. Allobarbital [who-dd]

51. Chembl267719

52. Component Of Dialog (salt/mix)

53. Dtxsid9022572

54. Schembl15364694

55. Nsc9324

56. 5,5-diallylbarbitursa Currencyure

57. Chebi:134875

58. Zinc5193039

59. 5,5-diallyl-barbituric Acid

60. Allobarbital 0.1 Mg/ml In Methanol

61. Allobarbital 1.0 Mg/ml In Methanol

62. Stl453798

63. Db13577

64. Wln: T6vmvmv Fhj F2u1 F2u1

65. Db-052123

66. A0739

67. D02817

68. A829085

69. Q418905

70. 5,5-diallyl-2,4,6(1h,3h,5h)-pyrimidinetrione #

71. 2,6(1h,3h,5h)-pyrimidinetrione, 5,5-di-2-propenyl-

72. 2,4,6(1h,3h,5h)-pyrimidinetrione, 5,5-di-2-propen-1-yl-

73. 5,5-diprop-2-en-1-ylpyrimidine-2,4,6(1h,3h,5h)-trione

74. 2-hydroxy-5,5-di(prop-2-en-1-yl)pyrimidine-4,6(1h,5h)-dione

75. Allobarbital Reg# - -

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₂N₂O₃
Molecular Weight	208.21 g/mol
XLogP3	1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	208.08479225 g/mol
Monoisotopic Mass	208.08479225 g/mol
Topological Polar Surface Area	75.3 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	315
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

4 Pharmacology and Biochemistry

4.1 ATC Code

N - Nervous system

N05 - Psycholeptics

N05C - Hypnotics and sedatives

N05CA - Barbiturates, plain

N05CA21 - Allobarbital

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