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CAS 111974-74-4
Also known as: 111974-74-4, 11-piperazinodibenzo[b,f][1,4]thiazepine dihydrochloride, Norquetiapine dihydrochloride, 11-piperazynil-dibenzo[b,f][1,4]thiazepine 2hcl, 11-(piperazin-1-yl)dibenzo[b,f][1,4]thiazepine dihydrochloride, 11-piperazin-1-yl-dibenzo[b,f][1,4]thiazepine dihydrochloride
Molecular Formula
C17H19Cl2N3S
Molecular Weight
368.3  g/mol
InChI Key
PZQCQHZDUIIKFU-UHFFFAOYSA-N
FDA UNII
7VJ4TC63IL

1 2D Structure

CAS 111974-74-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
6-piperazin-1-ylbenzo[b][1,4]benzothiazepine;dihydrochloride
2.1.2 InChI
InChI=1S/C17H17N3S.2ClH/c1-3-7-15-13(5-1)17(20-11-9-18-10-12-20)19-14-6-2-4-8-16(14)21-15;;/h1-8,18H,9-12H2;2*1H
2.1.3 InChI Key
PZQCQHZDUIIKFU-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CN(CCN1)C2=NC3=CC=CC=C3SC4=CC=CC=C42.Cl.Cl
2.2 Other Identifiers
2.2.1 UNII
7VJ4TC63IL
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 111974-74-4

2. 11-piperazinodibenzo[b,f][1,4]thiazepine Dihydrochloride

3. Norquetiapine Dihydrochloride

4. 11-piperazynil-dibenzo[b,f][1,4]thiazepine 2hcl

5. 11-(piperazin-1-yl)dibenzo[b,f][1,4]thiazepine Dihydrochloride

6. 11-piperazin-1-yl-dibenzo[b,f][1,4]thiazepine Dihydrochloride

7. 7vj4tc63il

8. Quetiapine Related Compound B

9. N-des[2-(2-hydroxyethoxy)ethyl] Quetiapine Dihydrochloride

10. Mfcd08703302

11. 11-piperazin-1-yl-dibenzo[b,f][1,4]thiazepine 2hcl

12. Dibenzo[b,f][1,4]thiazepine, 11-(1-piperazinyl)-, Dihydrochloride

13. 11-piperazin-1-yldibenzo(b,f)(1,4)thiazepine Dihydrochloride

14. 6-piperazin-1-ylbenzo[b][1,4]benzothiazepine;dihydrochloride

15. 11-(1-piperazinyl)dibenzo[b,f][1,4]thiazepine Dihydrochloride

16. Unii-7vj4tc63il

17. 11-(1-piperazinyl)-dibenzo(b,f)(1,4)thiazepine Dihydrochloride

18. Norquetiapine 2hcl

19. Ec 700-276-9

20. Schembl8507

21. Dtxsid60600505

22. 11-(1-piperazinyl)-dibenzo[b,f][1,4]thiazepinedihydrochloride

23. Bcp14824

24. Akos015895322

25. Ac-1919

26. Cs-w021295

27. Ks-5300

28. Sb30701

29. 10-(piperazin-1-yl)-2-thia-9- Azatricyclo(9.4.0.0^(3,8))pentadeca- 1(15),3,5,7,9,11,13-heptaene Dihydrochloride

30. Sy046613

31. Db-005659

32. Am20020202

33. Ft-0600381

34. Quetiapine Related Compound B [usp-rs]

35. 974p744

36. Q-200098

37. Quetiapine Related Compound B [usp Impurity]

38. Q27268910

39. 11-(1-piperazinyl)-dibenzo[b,f][1,4]thiazepine 2hcl

40. 11-piperazinyldibenzo[b,f][1,4]thiazepine Dihydrochloride

41. 11-(piperazinyl)-dibenzo[b,f][1,4]thiazepinedihydrochloride

42. 11-piperazynil-dibenzo [b,f][1,4]thiazepine Dihydrochloride

43. (e)-11-(piperazin-1-yl)dibenzo[b,f][1,4]thiazepine Dihydrochloride

44. 11-(piperazin-1-yl)dibenzo[b,f][1,4]thiazepine--hydrogen Chloride (1/2)

2.4 Create Date
2007-12-05
3 Chemical and Physical Properties
Molecular Weight 368.3 g/mol
Molecular Formula C17H19Cl2N3S
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass367.0676742 g/mol
Monoisotopic Mass367.0676742 g/mol
Topological Polar Surface Area52.9 Ų
Heavy Atom Count23
Formal Charge0
Complexity392
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3
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111974-74-4
Hikal is an established provider of research services, active ingredients, intermediates and regulatory s...
Hikal is an established provider of research services, active ingredients, intermediates and regulatory starting materials under cGMP conditions to thePharmaceutical, Crop Protection and Specialty Chemicals industry. Our manufacturing facilities located in India have also been certified by the US FDA, TGA, PMDA & are ISO 9001:2008, ISO 14001, OHSAS 18001 certified and audited by global innovator, generic and biotech companies. We are a 'Responsible Care' certified company which values and respects the Intellectual property rights of our customers.Strengths: Custom Synthesis; Contract Manufacturing; Process Development, Scale-up expertise.
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111974-74-4
Established in 1984, R L Fine Chem Pvt. Ltd. is one of the fastest growing API companies, with a leadersh...
Established in 1984, R L Fine Chem Pvt. Ltd. is one of the fastest growing API companies, with a leadership position in several APIs such as antihistamines, antidepressants and muscle relaxants. Acquired by private equity groups in 2016, it is one of India’s leading manufacturers of psychotropic substances. It supplies over 60 APIs to customers in more than 62 countries from FDA and EU-approved locations. R L Fine Chem is a technology-driven company with a focus on the in-house manufacture of key intermediates for our APIs. The company currently operates out of four facilities in the Indian states of Karnataka and Andhra Pradesh.
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111974-74-4
Smilax Laboratories Limited is a research-driven, vertically integrated pharmaceutical company manufactur...
Smilax Laboratories Limited is a research-driven, vertically integrated pharmaceutical company manufacturing Active Pharmaceutical Ingredients, API Intermediates and NDDS/Pellets for the generics market across the world. Set up in 2005, Smilax has emerged a reliable supplier of generic products in the global market today. Set up in 2005, Smilax has emerged a reliable supplier of generic products in the global market today.Set up in 2005, Smilax has emerged a reliable supplier of generic products in the global market today. Smilax manufactures APIs and API Intermediates at its state-of-the-art manufacturing facilities located at Hyderabad, Telangana and Visakhapatnam, Andhra Pradesh, India. Supported by a highly qualified and competent technical team, and endowed with strengths in research and development, Smilax continues to expand its presence in the world of pharmaceuticals.
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11974-74-4
Synaptics Labs Private Limited is a young Pharmaceutical Company with a fully integrated and globally spe...
Synaptics Labs Private Limited is a young Pharmaceutical Company with a fully integrated and globally specialized in the development, production and marketing of API’s "Active Pharmaceuticals Ingredients" and its advanced Intermediates, thanks to our focus on satisfying our customers' requirements and supporting the consolidation of a robust infrastructure. The Company promoted by a team of technocrats holding a master’s degree in pharmaceuticals and who have been involved in different Pharmaceutical companies since 24years.
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111974-74-4
VASUDHA PHARMA CHEM LIMITED was incorporated, as a public limited company under the Companies Act, 1956 i...
VASUDHA PHARMA CHEM LIMITED was incorporated, as a public limited company under the Companies Act, 1956 in 1994-95 at Hyderabad in the state of Telangana, India. The company is engaged in the manufacturing of Active Pharmaceutical Ingredients (APIs), Pharma Intermediates for catering to the Global market. Initially, the focus was on the development of cost effective processes for several intermediates related to piperidone & piperidine derivatives. By 2003-04, the company gained world class expertise and became the largest manufacturer of piperidone & piperidine derivatives in the world.
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111974-74-4
Xuchang Hengsheng Pharmaceutical Co., Ltd. was founded in January 2005 and was formally established in Ja...
Xuchang Hengsheng Pharmaceutical Co., Ltd. was founded in January 2005 and was formally established in January 2007. It is located in the Fine Chemical Park of Jian'an District, Xuchang City, Henan Province. It is a company that integrates the development and production of solid preparations, pharmaceutical raw materials and intermediates A high-tech enterprise integrating sales and marketing.
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