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Prestwick3_000071

Prestwick3_000071

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Also known as: 14679-73-3, Todralacina, Todralazina, Ecarazine, Carboethoxyphthalazinohydrazine, Ethyl 3-(1-phthalazinyl)carbazate

Molecular Formula

C₁₁H₁₂N₄O₂

Molecular Weight

232.24 g/mol

InChI Key

WGZDBVOTUVNQFP-UHFFFAOYSA-N

FDA UNII

WEN3K83YKD

An antihypertensive agent with both central and peripheral action; it has some central nervous system depressant effects.

1 2D Structure

Prestwick3_000071

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl N-(phthalazin-1-ylamino)carbamate

2.1.2 InChI

InChI=1S/C11H12N4O2/c1-2-17-11(16)15-14-10-9-6-4-3-5-8(9)7-12-13-10/h3-7H,2H2,1H3,(H,13,14)(H,15,16)

2.1.3 InChI Key

WGZDBVOTUVNQFP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC(=O)NNC1=NN=CC2=CC=CC=C21

2.2 Other Identifiers

2.2.1 UNII

WEN3K83YKD

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Apirachol

2. Binazin

3. Binazine

4. Ecarazine

5. Todrazoline

2.3.2 Depositor-Supplied Synonyms

1. 14679-73-3

2. Todralacina

3. Todralazina

4. Ecarazine

5. Carboethoxyphthalazinohydrazine

6. Ethyl 3-(1-phthalazinyl)carbazate

7. Bt 621

8. Carbazic Acid, 3-(1-phthalazinyl)-, Ethyl Ester

9. 3-(1-phthalazinyl)carbazic Acid Ethyl Ester

10. Hydrazinecarboxylic Acid, 2-(1-phthalazinyl)-, Ethyl Ester

11. Wen3k83ykd

12. Ceph [as Hydrochloride]

13. Binazin

14. Bt 621 [as Hydrochloride]

15. Nsc-757868

16. Todralacina [spanish]

17. Todralazinum

18. Todralazine [inn:ban]

19. Todralazinum [inn-latin]

20. Todralazina [inn-spanish]

21. Ncgc00016640-03

22. Unii-wen3k83ykd

23. Cas-3778-76-5

24. N-carboethoxy-n'-phthalazino-hydrazine

25. Brn 0233300

26. Todralazine (ban)

27. Ceph

28. Binazine (salt/mix)

29. Ethyl N-(phthalazin-1-ylamino)carbamate

30. Ecarazine (salt/mix)

31. Ceph Free Base

32. Spectrum_001187

33. Todrazoline (salt/mix)

34. Todralazine [mi]

35. Prestwick0_000071

36. Prestwick1_000071

37. Prestwick2_000071

38. Prestwick3_000071

39. Spectrum2_001147

40. Spectrum3_000932

41. Spectrum4_001031

42. Spectrum5_001223

43. Todralazine [inn]

44. Bt-621 Free Base

45. Schembl49644

46. Bspbio_000281

47. Kbiogr_001581

48. Kbioss_001667

49. Todralazine [who-dd]

50. 5-25-17-00414 (beilstein Handbook Reference)

51. Divk1c_000506

52. Spbio_001073

53. Spbio_002202

54. Bpbio1_000311

55. Chembl1079787

56. Dtxsid0045048

57. Chebi:94706

58. Kbio1_000506

59. Kbio2_001667

60. Kbio2_004235

61. Kbio2_006803

62. Kbio3_001964

63. Ninds_000506

64. Hy-b1001

65. Zinc18055768

66. Cs-4498

67. Nsc 757868

68. Idi1_000506

69. Ncgc00016640-01

70. Ncgc00016640-02

71. 1-(n'-ethoxycarbonylhydrazino)phthalazine

72. Da-10133

73. Sbi-0051674.p002

74. Ab00053609

75. Ft-0737585

76. D08613

77. Ethyl 2-(1-phthalazinyl)hydrazinecarboxylate #

78. Ab00053609_08

79. N-(1-phthalazinylamino)carbamic Acid Ethyl Ester

80. Cu-00000000398-1

81. Brd-k68553471-003-04-0

82. Brd-k68553471-003-07-3

83. Q27166508

2.4 Create Date

2005-03-25

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₂N₄O₂
Molecular Weight	232.24 g/mol
XLogP3	1.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	232.09602564 g/mol
Monoisotopic Mass	232.09602564 g/mol
Topological Polar Surface Area	76.1 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	262
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 MeSH Pharmacological Classification

Antihypertensive Agents

Drugs used in the treatment of acute or chronic vascular HYPERTENSION regardless of pharmacological mechanism. Among the antihypertensive agents are DIURETICS; (especially DIURETICS, THIAZIDE); ADRENERGIC BETA-ANTAGONISTS; ADRENERGIC ALPHA-ANTAGONISTS; ANGIOTENSIN-CONVERTING ENZYME INHIBITORS; CALCIUM CHANNEL BLOCKERS; GANGLIONIC BLOCKERS; and VASODILATOR AGENTS. (See all compounds classified as Antihypertensive Agents.)