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Tiaramide Hydrochloride

Tiaramide Hydrochloride

Synopsis, Chemistry

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Also known as: 35941-71-0, 5-chloro-3-(2-(4-(2-hydroxyethyl)piperazin-1-yl)-2-oxoethyl)benzo[d]thiazol-2(3h)-one hydrochloride, Tiaramide hcl, Solantal, Nta-194, Tiaramide hydrochloride-r

Molecular Formula

C₁₅H₁₉Cl₂N₃O₃S

Molecular Weight

392.3 g/mol

InChI Key

UKNGDQSYPNBJAO-UHFFFAOYSA-N

FDA UNII

ITY1616X9T

1 2D Structure

Tiaramide Hydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-chloro-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-1,3-benzothiazol-2-one;hydrochloride

2.1.2 InChI

InChI=1S/C15H18ClN3O3S.ClH/c16-11-1-2-13-12(9-11)19(15(22)23-13)10-14(21)18-5-3-17(4-6-18)7-8-20;/h1-2,9,20H,3-8,10H2;1H

2.1.3 InChI Key

UKNGDQSYPNBJAO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CN(CCN1CCO)C(=O)CN2C3=C(C=CC(=C3)Cl)SC2=O.Cl

2.2 Other Identifiers

2.2.1 UNII

ITY1616X9T

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Fk 1160

2. Nta-194

3. Solantal

4. Tiaramide

5. Tiaramide Monohydrochloride

2.3.2 Depositor-Supplied Synonyms

1. 35941-71-0

2. 5-chloro-3-(2-(4-(2-hydroxyethyl)piperazin-1-yl)-2-oxoethyl)benzo[d]thiazol-2(3h)-one Hydrochloride

3. Tiaramide Hcl

4. Solantal

5. Nta-194

6. Tiaramide Hydrochloride-r

7. Usv 2592 Hcl

8. Fk 1160

9. Nsc-289337

10. Fk-1160

11. 4-[(5-chloro-2-oxo-2h-benzothiazol-3-yl)acetyl]piperazine-1-ethanol Monohydrochloride

12. Ity1616x9t

13. Rhc-2592

14. 35941-71-0 (hcl)

15. 4-((5-chloro-2-oxo-3-benzothiazolinyl)acetyl)-1-piperazineethanol Monohydrochloride

16. Thiaramide

17. Fk 1160; Nsc 289337; Nta 194; Rhc 2592

18. Ventaval Tabletten

19. 1-piperazineethanol, 4-((5-chloro-2-oxo-3(2h)-benzothiazolyl)acetyl)-, Monohydrochloride

20. Thiaramide [german]

21. Nsc289337

22. Unii-ity1616x9t

23. 4-((5-chloro-2-oxo-2h-benzothiazol-3-yl)acetyl)piperazine-1-ethanol Monohydrochloride

24. Nta 194

25. Solantal (tn)

26. Einecs 252-802-7

27. Tiaramide Hydrochloride [usan:jan]

28. Nta-194tiaramide

29. Nsc 289337

30. Dsstox_cid_28683

31. Dsstox_rid_82953

32. Nta-194 Hcl

33. Dsstox_gsid_48757

34. Schembl181916

35. Chembl538059

36. Dtxsid6048757

37. Chebi:32222

38. Tiaramide Hydrochloride [mi]

39. Tox21_113221

40. Bdbm50222213

41. Fk1160

42. Mfcd01702832

43. Tiaramide Hydrochloride [jan]

44. 1-piperazineethanol, Monohydrochloride

45. Tiaramide Hydrochloride [usan]

46. Akos024464353

47. Tiaramide Hydrochloride (jp17/usan)

48. Tiaramide Hydrochloride [mart.]

49. 2-benzothiazolinone, 5-chloro-3-(4-(2-hydroxyethyl)-1-piperazinyl)carbonylmethyl-, Hcl

50. 4-((5-chloro-2-oxo-3(2h)-benzothiazolyl)acetyl)-1-piperazineethanol Hydrochloride

51. 5-chloro-3-(4-(2-hydroxyethyl)-1-piperazinyl)carbonylmethyl-2-benzothiazolinone Hydrochloride

52. Tiaramide Hydrochloride [who-dd]

53. 5-chloro-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-1,3-benzothiazol-2-one;hydrochloride

54. As-74709

55. Cas-35941-71-0

56. T3176

57. D01341

58. D92667

59. A874495

60. Q27280902

61. 1-piperazineethanol, 4-((5-chloro-2-oxo-3(2h)-benzothiazolyl)acetyl)-, Hydrochloride

62. 4-[(5-chloro-2-oxo-2h-benzothiazol-3-yl)acetyl]piperazine-1-ethanolmonohydrochloride

63. 4-[(5-chloro-2-oxo-3-benzothiazolinyl)acetyl]-1-piperazineethanol Hydrochloride

64. 2(3h)-benzothiazolone, 5-chloro-3-(2-(4-(2-hydroxyethyl)-1-piperazinyl)-2-oxoethyl)-, Hydrochloride (1:1)

65. 5-chloro-3-(2-(4-(2-hydroxyethyl)piperazin-1-yl)-2-oxoethyl)benzo[d]thiazol-2(3h)-onehydrochloride

66. 5-chloro-3-[[4-(2-hydroxyethyl)piperazin-1-yl]carbonylmethyl]-2-benzothiazolinone Hydrochloride

67. 5-chloro-3-{2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl}-2,3-dihydro-1,3-benzothiazol-2-one Hydrochloride

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₉Cl₂N₃O₃S
Molecular Weight	392.3 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	391.0524180 g/mol
Monoisotopic Mass	391.0524180 g/mol
Topological Polar Surface Area	89.4 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	459
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 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Anti-Inflammatory Agents, Non-Steroidal

Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects. (See all compounds classified as Anti-Inflammatory Agents, Non-Steroidal.)

Bronchodilator Agents

Agents that cause an increase in the expansion of a bronchus or bronchial tubes. (See all compounds classified as Bronchodilator Agents.)