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CHEMISTRY
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ACTIVE PHARMA INGREDIENTS

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Synopsis

ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 1830-32-6, Azinthiamide, Oragallin, Colerin, Oragalin, Azintamid

Molecular Formula

C₁₀H₁₄ClN₃OS

Molecular Weight

259.76 g/mol

InChI Key

SSLKKMZJCJBOML-UHFFFAOYSA-N

FDA UNII

ACZ6L64B41

1 2D Structure

Azintamide

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(6-chloropyridazin-3-yl)sulfanyl-N,N-diethylacetamide

2.1.2 InChI

InChI=1S/C10H14ClN3OS/c1-3-14(4-2)10(15)7-16-9-6-5-8(11)12-13-9/h5-6H,3-4,7H2,1-2H3

2.1.3 InChI Key

SSLKKMZJCJBOML-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCN(CC)C(=O)CSC1=NN=C(C=C1)Cl

2.2 Other Identifiers

2.2.1 UNII

ACZ6L64B41

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2-((6-chloro-3-pyridazinyl)thio)-n,n-diethylacetamide

2. Azintamid

3. Oragallin

2.3.2 Depositor-Supplied Synonyms

1. 1830-32-6

2. Azinthiamide

3. Oragallin

4. Colerin

5. Oragalin

6. Azintamid

7. Bilipurum

8. Biloral

9. Oragal

10. Oragallin Purum

11. Azintamide [inn]

12. St 9067

13. (6-chlorpyridazin-3-ylthio)diethylacetamide

14. Nsc-291837

15. N,n-diethyl (6-chloropyridazin-3-ylthio)acetamide

16. Bilipurum; Colerin; Oragalin

17. 2-((6-chloro-3-pyridazinyl)thio)-n,n-diethylacetamide

18. Acz6l64b41

19. Azintamide (inn)

20. (3-chlor-pyridazinyl-(6)-thio)-essigsaeurediaethylamid

21. St-9067

22. Ora-gallin

23. Azintamida

24. Azintamidum

25. Acetamide,2-[(6-chloro-3-pyridazinyl)thio]-n,n-diethyl-

26. Azintamidum [inn-latin]

27. Azintamida [inn-spanish]

28. Sr-01000945218

29. Einecs 217-384-2

30. Nsc 291837

31. Brn 0885011

32. Unii-acz6l64b41

33. X 23

34. Ora-gallin Purum

35. Colerin (tn)

36. N,n-diethyl-2-(6-(3-chloropyridazinyl)thio)acetamide

37. 2-(6-chloropyridazin-3-yl)sulfanyl-n,n-diethylacetamide

38. (3-chloro-pyridazinyl-(6)-thio)-acetic Acid Diethylamide

39. Acetamide, 2-(6-chloro-3-pyridazinylthio)-n,n-diethyl-

40. N,n-diethyl-2-(6-(3-chloropyridazinyl)mercapto)acetamide

41. Acetamide, 2-((6-chloro-3-pyridazinyl)thio)-n,n-diethyl-

42. Azintamide [mi]

43. (3-chlor-pyridazinyl-(6)-thio)-essigsaeurediaethylamid [german]

44. Azintamide [mart.]

45. Azintamide [who-dd]

46. Zinc984

47. 5-23-11-00092 (beilstein Handbook Reference)

48. Mls006011938

49. Schembl1236142

50. Chembl2104678

51. 2-[(6-chloropyridazin-3-yl)sulfanyl]-n,n-diethylacetamide

52. Dtxsid50171370

53. Chebi:135068

54. Wln: T6nnj Cg Fs1vn2&2

55. Nsc291837

56. Akos025401654

57. Db13992

58. Ac-24006

59. Smr004703523

60. X-23

61. Db-065424

62. Hy-117437

63. Cs-0066088

64. Ft-0733632

65. D07485

66. Sr-01000945218-1

67. Sr-01000945218-2

68. Q27273875

69. (3-chloro-pyridazinyl-(6)-thio)acetic Acid Diethylamide

70. Z221446992

71. 1830-82-6

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₄ClN₃OS
Molecular Weight	259.76 g/mol
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	259.0546109 g/mol
Monoisotopic Mass	259.0546109 g/mol
Topological Polar Surface Area	71.4 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	226
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