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Chemistry

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Also known as: 105628-07-7, Fasudil hcl, Eril, Fasudil (ha-1077) hcl, 5-((1,4-diazepan-1-yl)sulfonyl)isoquinoline hydrochloride, Fasudil (hydrochloride)

Molecular Formula

C₁₄H₁₈ClN₃O₂S

Molecular Weight

327.8 g/mol

InChI Key

LFVPBERIVUNMGV-UHFFFAOYSA-N

FDA UNII

SQ04N8S7BR

1 2D Structure

Fasudil

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-(1,4-diazepan-1-ylsulfonyl)isoquinoline;hydrochloride

2.1.2 InChI

InChI=1S/C14H17N3O2S.ClH/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14;/h1,3-5,7,11,15H,2,6,8-10H2;1H

2.1.3 InChI Key

LFVPBERIVUNMGV-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3.Cl

2.2 Other Identifiers

2.2.1 UNII

SQ04N8S7BR

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1-(5-isoquinolinesulfonyl)homopiperazine

2. At 877

3. At-877

4. At877

5. Fasudil

6. Fasudil Mesylate

7. Ha 1077

8. Ha-1077

2.3.2 Depositor-Supplied Synonyms

1. 105628-07-7

2. Fasudil Hcl

3. Eril

4. Fasudil (ha-1077) Hcl

5. 5-((1,4-diazepan-1-yl)sulfonyl)isoquinoline Hydrochloride

6. Fasudil (hydrochloride)

7. At-877

8. Fasudil Monohydrochloride

9. Ha-1077

10. Sq04n8s7br

11. Fasudil, Monohydrochloride Salt

12. 105628-07-7 (hcl)

13. 1h-1,4-diazepine, Hexahydro-1-(5-isoquinolinylsulfonyl)-, Monohydrochloride

14. Dsstox_cid_25615

15. Dsstox_rid_81004

16. Dsstox_gsid_45615

17. Fasudil Hydrochloride (jan)

18. 1-(5-isoquinolinesulfonyl)homopiperazine Hydrochloride

19. Chembl541388

20. Ha-1077 Hydrochloride

21. 5-(1,4-diazepan-1-ylsulfonyl)isoquinoline;hydrochloride

22. 5-((1,4-diazepan-1-yl)sulfonyl)isoquinoline Xhydrochloride

23. At 877 Hydrochloride

24. Fasudil Hydrochloride [jan]

25. Ha 1077 Hydrochloride

26. Ha-1077 Dihydrochloride

27. 133337-43-6

28. Cas-105628-07-7

29. Ncgc00018100-04

30. Unii-sq04n8s7br

31. C14h17n3o2s.hcl

32. Fasdil

33. Fasudil-ha

34. Calciumcyclamate

35. Fasudil, Monohcl

36. Hexahydro-1-(5-isoquinolinylsulfonyl)-1h-1,4-diazepine Monohydrochloride

37. Regid_for_cid_4917

38. Bmk1-e2

39. Mls000069344

40. Schembl317082

41. Fasudil Hcl (ha-1077)

42. Fasudil Hcl - Ha-1077

43. 5-(1,4-diazepan-1-ylsulfonyl)isoquinoline Hydrochloride

44. Dtxsid1045615

45. Regid_for_cid_163751

46. Chebi:31593

47. Fasudil Hydrochloride [mi]

48. Act06296

49. Bcp26351

50. Tox21_110824

51. Mfcd00943198

52. S1573

53. Fasudil Hydrochloride [mart.]

54. Akos015897321

55. Fasudil Hydrochloride [who-dd]

56. Tox21_110824_1

57. Ac-4515

58. Ccg-267783

59. Cs-0225

60. Ncgc00018100-08

61. Ncgc00180915-01

62. 111ge018

63. As-17751

64. Hy-10341

65. Smr000058993

66. Am20050635

67. F0839

68. Ft-0631034

69. Sw218155-2

70. A21128

71. D01840

72. 5-(1,4-diazepan-1-ylsulfonyl)isoquinoline Hcl

73. Sr-01000000005

74. 1-(5isoquinolinesulfonyl)homopiperazine Hydrochloride

75. Sr-01000000005-2

76. Q27289337

77. 1-(5-isoquinolinesulfonyl)homopiperazine Dihydrochloride

78. 5-(1-homopiperazinyl)sulfonylisoquinoline Hydrochloride

79. 5-(1,4-diazepan-1-ylsulfonyl)isoquinoline;hydron;chloride

80. 5-(1,4-diazepan-1-ylsulfonyl)isoquinoline Hydrochloride (1:1)

81. 5-(hexahydro-1h-1,4-diazepine-1-ylsulfonyl)isoquinoline Hydrochloride

82. Isoquinoline, 5-((hexahydro-1h-1,4-diazepin-1-yl)sulfonyl)-, Hydrochloride (1:1)

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₈ClN₃O₂S
Molecular Weight	327.8 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	327.0808257 g/mol
Monoisotopic Mass	327.0808257 g/mol
Topological Polar Surface Area	70.7 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	421
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	2

4 Drug and Medication Information

4.1 Drug Indication

Treatment of non-traumatic subarachnoid haemorrhage

5 Pharmacology and Biochemistry

5.1 MeSH Pharmacological Classification

Calcium Channel Blockers

A class of drugs that act by selective inhibition of calcium influx through cellular membranes. (See all compounds classified as Calcium Channel Blockers.)

Vasodilator Agents

Drugs used to cause dilation of the blood vessels. (See all compounds classified as Vasodilator Agents.)

Protein Kinase Inhibitors

Agents that inhibit PROTEIN KINASES. (See all compounds classified as Protein Kinase Inhibitors.)

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