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CAS 87691-87-0
Also known as: 87691-87-0, 3-(piperazin-1-yl)benzo[d]isothiazole, 3-piperazin-1-yl-benzo[d]isothiazole, 3-piperazin-1-yl-1,2-benzothiazole, Bitp, 1,2-benzisothiazole, 3-(1-piperazinyl)-
Molecular Formula
C11H13N3S
Molecular Weight
219.31  g/mol
InChI Key
KRDOFMHJLWKXIU-UHFFFAOYSA-N
FDA UNII
59D8RAT1F9

1 2D Structure

CAS 87691-87-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-piperazin-1-yl-1,2-benzothiazole
2.1.2 InChI
InChI=1S/C11H13N3S/c1-2-4-10-9(3-1)11(13-15-10)14-7-5-12-6-8-14/h1-4,12H,5-8H2
2.1.3 InChI Key
KRDOFMHJLWKXIU-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CN(CCN1)C2=NSC3=CC=CC=C32
2.2 Other Identifiers
2.2.1 UNII
59D8RAT1F9
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 87691-87-0

2. 3-(piperazin-1-yl)benzo[d]isothiazole

3. 3-piperazin-1-yl-benzo[d]isothiazole

4. 3-piperazin-1-yl-1,2-benzothiazole

5. Bitp

6. 1,2-benzisothiazole, 3-(1-piperazinyl)-

7. N-(3-benzisothiazolyl)piperazine

8. Mfcd04117970

9. 3-(piperazin-1-yl)-1,2-benzothiazole

10. 3-(1-piperazinyl)benzisothiazole

11. 3-piperazin-1-yl-1,2-benzisothiazole

12. 3-piperazin-1-yl-benzo(d)isothiazole

13. 3-(piperazin-1-yl)benzo(d)isothiazole

14. Chembl1154

15. Ziprasidone Related Compound A Free Base

16. Id-11614

17. Mj-14069

18. 59d8rat1f9

19. 3-piperazino-1,2-benzisothiazole

20. Id11614

21. 3-piperazin-1-ylbenzo[d]isothiazole

22. Unii-59d8rat1f9

23. 3-piperazinylbenzo[d]isothiazole

24. 3-piperazinyl-1,2-benzisothiazole

25. 4-(1,2-benzisothiazol-3-yl)-1-piperazine

26. Benzisothiazylpiperazine

27. Ziprasidone (m5)

28. Piperazinyl Benzoisothiazole

29. N-benzisothiazolylpiperazine

30. 3-piperazinyl-benzisothiazole

31. Schembl250876

32. Lurasidone Metabolite M1

33. N-(3benzoisothiazolyl)piperazine

34. 3-piperazin-1-yl-benzisothiazole

35. Dtxsid70236556

36. 3-piperazinyl-1,2-benzisothiazol

37. Chebi:191681

38. N-(3-benzoisothiazolyl)piperazine

39. N-(3-benzisothiazolyl) Piperazine

40. N-(3-benzisothiazolyl)-piperazine

41. 3-piperazinylbenzo [d] Isothiazole

42. Albb-008924

43. Bcp17556

44. Zinc2568290

45. Ziprasidone Hydrochloride Monohydrate Specified Impurity A [ep]

46. Bdbm50007695

47. Stk347701

48. Akos000301991

49. Ab20773

50. Ac-1868

51. Ccg-275122

52. Cs-w010470

53. Ds-1936

54. Gf-0131

55. 3-(1-piperazinyl)-i,2-benzisothiazole

56. 4-(1,2-benzisothiazol-3-yl)piperazine

57. N-(1,2-benzisothiazol-3-yl)piperazine

58. 1-(1,2-benzoisothiazol-3-yl)piperazine

59. 4-(1,2-benzisothiazole-3-yl)piperazine

60. 1-(1,2-benzisothiazol-3-yl) Piperazine

61. 4-(1,2-benzisothiazol-3-yl)-piperazine

62. Sy047003

63. 1-(1,2-benzoisothiazol- 3-yl)piperazine

64. Db-006229

65. Am20060794

66. Bb 0216394

67. Ft-0601156

68. Ft-0650663

69. P2064

70. 1-(1,2-benzisothiazol-3-yl)piperazine

71. Benzisothiazole-3-yl-piperazine (bitp)

72. 691p870

73. A1-00278

74. W-205602

75. Q27261694

76. F0001-2180

77. 3-(1-piperazinyl)-1,2-benzisothiazole, >=98% (hplc)

78. Ziprasidone Mesilate Trihydrate Impurity A [ep Impurity]

79. 3-(piperazin-1-yl)benzo[d]isothiazole;3-piperazinyl-1,2-benzisothiazole

80. Ziprasidone Hydrochloride Monohydrate Impurity A [ep Impurity]

2.4 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 219.31 g/mol
Molecular Formula C11H13N3S
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass219.08301860 g/mol
Monoisotopic Mass219.08301860 g/mol
Topological Polar Surface Area56.4 Ų
Heavy Atom Count15
Formal Charge0
Complexity218
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 Metabolism/Metabolites

3-(1-Piperazinyl)-1,2-benzisothiazole is a known human metabolite of Perospirone and ziprasidone.

S73 | METXBIODB | Metabolite Reaction Database from BioTransformer | DOI:10.5281/zenodo.4056560


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Nanjing Clasien Pharmaceutical & Chemical Co., Ltd. is a high-tech enterprise located in Nanjing, the pro...
Nanjing Clasien Pharmaceutical & Chemical Co., Ltd. is a high-tech enterprise located in Nanjing, the provincial capital of Jiangsu Province, with excellent location and convenient transportation. We are mainly engaged in R & D, production and sales of new drugs, Pesticide and other fine chemicals. We have two R&D centers and a modern production base, can develop and produce new chemical products ranging from kilograms to tons.
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65376-05-8
Nanjing Clasien Pharmaceutical & Chemical Co., Ltd. is a high-tech enterprise located in Nanjing, the pro...
Nanjing Clasien Pharmaceutical & Chemical Co., Ltd. is a high-tech enterprise located in Nanjing, the provincial capital of Jiangsu Province, with excellent location and convenient transportation. We are mainly engaged in R & D, production and sales of new drugs, Pesticide and other fine chemicals. We have two R&D centers and a modern production base, can develop and produce new chemical products ranging from kilograms to tons.
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46022-05-3
Nanjing Clasien Pharmaceutical & Chemical Co., Ltd. is a high-tech enterprise located in Nanjing, the pro...
Nanjing Clasien Pharmaceutical & Chemical Co., Ltd. is a high-tech enterprise located in Nanjing, the provincial capital of Jiangsu Province, with excellent location and convenient transportation. We are mainly engaged in R & D, production and sales of new drugs, Pesticide and other fine chemicals. We have two R&D centers and a modern production base, can develop and produce new chemical products ranging from kilograms to tons.
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14805-29-9
We specialize in the supply of API and API related intermediates and services. A significant part of our ...
We specialize in the supply of API and API related intermediates and services. A significant part of our business comes from the process/production development tailored to our customers' requirement.We see our core-value in our top-of-the-rank R&D capabilities, strict quality system, fast communication with accuracy and 15years of continued dedication to pharmaceutical and chemical industries.We take pride in the long term partnership with our reputed customers, and feel truly fortunate to work with mutual and respect. We constantly strive to keep up with their ever increasing expectation, to ensure we are worthy of their trust and reliance.
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65376-05-8
We specialize in the supply of API and API related intermediates and services. A significant part of our ...
We specialize in the supply of API and API related intermediates and services. A significant part of our business comes from the process/production development tailored to our customers' requirement.We see our core-value in our top-of-the-rank R&D capabilities, strict quality system, fast communication with accuracy and 15years of continued dedication to pharmaceutical and chemical industries.We take pride in the long term partnership with our reputed customers, and feel truly fortunate to work with mutual and respect. We constantly strive to keep up with their ever increasing expectation, to ensure we are worthy of their trust and reliance.
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118289-55-7
Ramdev Chemicals Pvt. Ltd. is one of the fastest growing Active Pharmaceuticl Drugs, Drug Intermediates, ...
Ramdev Chemicals Pvt. Ltd. is one of the fastest growing Active Pharmaceuticl Drugs, Drug Intermediates, Storage Fine Chemical Company in India which have specialty in Synthesis Molecules & Chemical Preparation. We are Bulk Drugs and Chemical manufactures, Suppliers and Exporters. We have very strong team of Technocrats & Technical People engaged mainly into the New Molecules for various Multinational Companies. The company is now aimed towards the International Market & as our first step to it, we have started implementation of ISO 9001:2000 which is expected to be completed by end of 2002.
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118307-04-3
Ramdev Chemicals Pvt. Ltd. is one of the fastest growing Active Pharmaceuticl Drugs, Drug Intermediates, ...
Ramdev Chemicals Pvt. Ltd. is one of the fastest growing Active Pharmaceuticl Drugs, Drug Intermediates, Storage Fine Chemical Company in India which have specialty in Synthesis Molecules & Chemical Preparation. We are Bulk Drugs and Chemical manufactures, Suppliers and Exporters. We have very strong team of Technocrats & Technical People engaged mainly into the New Molecules for various Multinational Companies. The company is now aimed towards the International Market & as our first step to it, we have started implementation of ISO 9001:2000 which is expected to be completed by end of 2002.
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118289-55-7
Royal pharma was started in 2007 – it’s a small scale Advanced Intermediates Manufacturing company. F...
Royal pharma was started in 2007 – it’s a small scale Advanced Intermediates Manufacturing company. Facilities are in accordance to GMP standards. Currently working with Indian Multinational companies and also with European countries. Its an ISO 9001:2000 certified company. Facilities are in accordance to GMP standards. Currently working with Indian Multinational companies and also with European countries. Facilities are in accordance to GMP standards.
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Sandoo Pharmaceuticals and Chemcials Co.,Ltd was established in 2009, with a young and active team, locat...
Sandoo Pharmaceuticals and Chemcials Co.,Ltd was established in 2009, with a young and active team, located in Ningbo, China. Specializes in exporting and importing pharmaceutical intermediates and chemical products as well as active pharmaceutical ingredients.
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46022-05-3
Sandoo Pharmaceuticals and Chemcials Co.,Ltd was established in 2009, with a young and active team, locat...
Sandoo Pharmaceuticals and Chemcials Co.,Ltd was established in 2009, with a young and active team, located in Ningbo, China. Specializes in exporting and importing pharmaceutical intermediates and chemical products as well as active pharmaceutical ingredients.
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56553-60-7
Sanpra Synthesis strongly believes that with its expertise and innovative pharmaceutical business backgro...
Sanpra Synthesis strongly believes that with its expertise and innovative pharmaceutical business background, it is aptly positioned for APIs and intermediates manufacturing and outsourcing for the global market. We also undertake custom synthesis and contract manufacturing. Setting up multiple c GMP-manufacturing facility and world-class R&D center located in Vizag APSEZ De-notified area with well connected to road, rail, and air enabling cargo movement to the nearest transport facility in commercial production from January 2020.
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We introduce ourselves as manufacturer of Active Pharmaceutical Ingredients (API) and intermediates with ...
We introduce ourselves as manufacturer of Active Pharmaceutical Ingredients (API) and intermediates with a professional approach that is aimed at finest results. We have etched a respectable place in the industry with proven expertise in manufacturing a wide spectrum of products. Vijayasri today is one of the prominent manufacturers of Active Pharmaceutical Ingredients (API) and intermediates. Our excellent Performance in Contract manufacturing over the years has also earned us the status of a trustable name in the pharmaceutical industry.
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56341-37-8
We introduce ourselves as manufacturer of Active Pharmaceutical Ingredients (API) and intermediates with ...
We introduce ourselves as manufacturer of Active Pharmaceutical Ingredients (API) and intermediates with a professional approach that is aimed at finest results. We have etched a respectable place in the industry with proven expertise in manufacturing a wide spectrum of products. Vijayasri today is one of the prominent manufacturers of Active Pharmaceutical Ingredients (API) and intermediates. Our excellent Performance in Contract manufacturing over the years has also earned us the status of a trustable name in the pharmaceutical industry.
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2746-19-2
Xi'an caijing opto-Electrical Science & Technology Co.,Ltd.(briefed as CJOE), located in Xi'an High-Tech ...
Xi'an caijing opto-Electrical Science & Technology Co.,Ltd.(briefed as CJOE), located in Xi'an High-Tech Development Zone with a registered capital of 90 million Yuan, is a high-tech joint-stock enterprise and has been engaged in manufacture, R & D and trade. Our major investors are well-known domestic institute and companies including: Xi'an Modern Chemistry Research Institute, Xi'an DongFang Group.,Ltd, Beijing Minghang Science & Technology Development Co., Ltd. etc. We have the self-supported import and export right and our business is dedicated to liquid crystal display materials, organic electroluminescent materials and fine chemicals.
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