CAS 53786-28-0

Chemistry, 5 End Use API, 9 Related Intermediates

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Also known as: 53786-28-0, 5-chloro-1-(4-piperidyl)-2-benzimidazolinone, 1-(4-piperidinyl)-1,3-dihydro-5-chlorobenzimidazolone, 6-chloro-3-piperidin-4-yl-1h-benzimidazol-2-one, Domperidone impurity a, 5-chloro-1,3-dihydro-1-(4-piperidinyl)-2h-benzimidazol-2-one

Molecular Formula

C₁₂H₁₄ClN₃O

Molecular Weight

251.71 g/mol

InChI Key

DOAYWDKFDPSTSV-UHFFFAOYSA-N

FDA UNII

53TAT94YDS

1 2D Structure

CAS 53786-28-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

6-chloro-3-piperidin-4-yl-1H-benzimidazol-2-one

2.1.2 InChI

InChI=1S/C12H14ClN3O/c13-8-1-2-11-10(7-8)15-12(17)16(11)9-3-5-14-6-4-9/h1-2,7,9,14H,3-6H2,(H,15,17)

2.1.3 InChI Key

DOAYWDKFDPSTSV-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CNCCC1N2C3=C(C=C(C=C3)Cl)NC2=O

2.2 Other Identifiers

2.2.1 UNII

53TAT94YDS

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 53786-28-0

2. 5-chloro-1-(4-piperidyl)-2-benzimidazolinone

3. 1-(4-piperidinyl)-1,3-dihydro-5-chlorobenzimidazolone

4. 6-chloro-3-piperidin-4-yl-1h-benzimidazol-2-one

5. Domperidone Impurity A

6. 5-chloro-1,3-dihydro-1-(4-piperidinyl)-2h-benzimidazol-2-one

7. 5-chloro-1-(4-piperidinyl)-2-benzimidazolinone

8. 5-chloro-1-piperidin-4-yl-1,3-dihydro-2h-benzimidazol-2-one

9. 2h-benzimidazol-2-one, 5-chloro-1,3-dihydro-1-(4-piperidinyl)-

10. 5-chloro-1-(piperidin-4-yl)-1,3-dihydro-2h-benzimidazol-2-one

11. 53tat94yds

12. 5-chloro-1-piperidin-4-yl-1,3-dihydro-benzoimidazol-2-one

13. R-29676

14. 5-chloro-1-(4-piperidyl)-1h-benzimidazol-2(3h)-one

15. Einecs 258-771-6

16. Domperidone Ep Impurity A

17. Unii-53tat94yds

18. Dsstox_cid_31553

19. Dsstox_rid_97438

20. Dsstox_gsid_57764

21. Schembl655853

22. Chembl3189082

23. Dtxsid4057764

24. Schembl22588043

25. Amy40896

26. Bcp34405

27. Str08979

28. Zinc5019445

29. Tox21_113838

30. Mfcd02093793

31. Akos015888111

32. Ab10845

33. Gf-0121

34. Ncgc00253719-01

35. Ac-18949

36. Cas-53786-28-0

37. Db-018623

38. Cs-0155747

39. Ft-0640191

40. 1-(4-piperidyl)-5-chloro-2-benzimidazolinone

41. R29676

42. 1-(4-piperidyl)-5-chloro-benzimidazolin-2-one

43. 4-(5-chloro-2-oxo-1-benzimidazolinyl)piperidine

44. 4-(5-chlorobenzimidazol-2-on-1-yl)-piperidine

45. 5-chloro-1-(4-piperidyl)- 2-benzimidazolinone

46. Sr-01000945186

47. Sr-01000945186-1

48. 5-chloro-1-(4-piperidyl)-2-benzimidazolinone, 97%

49. 5-chloro-1-(4-piperidinyl)-2-benzimidazolidinone

50. 5-chloro-1-dihydro-1-(4-piperidinyl)-2h-benzimidazole-2-one

51. 4-(6-chloro-1,2-dihydro-2-oxobenzo(d)imidazol-3-yl)piperidine

52. 5-chloro 1,3 Dihydro -1- (4-piperidinyl) -2h- Benzimidazol - 2 -one

53. 5-chloro-1,3-dihydro-1-(piperidin-4-yl)-2h-benzimidazol-2-one

54. 5-chloro-1-(4-piperidinyl)-1,3-dihydro-2h-benzimidazol-2-one

55. 5-chloro-1-(piperidin-4-yl)-2,3-dihydro-1h-1,3-benzodiazol-2-one

2.4 Create Date

2005-07-09

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₄ClN₃O
Molecular Weight	251.71 g/mol
XLogP3	2.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	251.0825398 g/mol
Monoisotopic Mass	251.0825398 g/mol
Topological Polar Surface Area	44.4 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	306
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 Metabolism/Metabolites

5-Chloro-1-(piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one is a known human metabolite of domperidone.

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

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Tagoor Laboratories

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CAS Number

53786-28-0

End Use API

Domperidone

About the Company

Tagoor Laboratories, established in 2018, is a part of the Tagoor Group. It specializes in providing APIs...

Tagoor Laboratories, established in 2018, is a part of the Tagoor Group. It specializes in providing APIs, advanced intermediates and key starting materials for critical and high-growth therapeutic areas, with an emphasis on affordability, quality and timely delivery. It also provides end-to-end CDMO services. Headquartered in Hyderabad, Tagoor Labs is a fast-growing Indian pharma company that serves both branded and generic companies worldwide. The company’s organizational function includes R&D, supply chain, manufacturing, quality testing, quality assurance, regulatory affairs, marketing & sales, and packaging & warehousing departments.

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Allchem Laboratories

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CAS Number

53786-28-0

End Use API

Domperidone

About the Company

Established in 2003 with small pilot plant and came in to commercial production in 2013 in the name of Al...

Established in 2003 with small pilot plant and came in to commercial production in 2013 in the name of Allchem Laboratories, it is an independent privately owned company.Name changed from Allchem Laboratories to Allchem Lifescience Pvt. Ltd in April-2017.We are Allchem Lifescience Pvt Ltd., a fully cGMP compliant pharmaceutical intermediates plant located in the outskirts of Vadodara, Gujarat, India. (Location :400 km north of Mumbai at Vadodara, Gujarat, INDIA).

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Lohitha Lifesciences

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5-Chloro 2,3 dihydro -1- (4-piperidinyl) -1H- benzimida...

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53786-28-0

End Use API

Domperidone

About the Company

Lohitha Lifesciences (pvt) ltd. is engaged in manufacturing of active pharmaceutical ingredients (API's) ...

Lohitha Lifesciences (pvt) ltd. is engaged in manufacturing of active pharmaceutical ingredients (API's) and quality intermediates. Bulk actives are critical to our success in delivering affordable products for both Domestic & International markets. Lohitha Lifesciences manufactures the products at the company's CGMP facility location near parwada, Visakhapatnam, Andhrapradesh, India at Lohitha Lifesciences our Core values are Mutual Respect, Teamwork, Responsibility, Attitude, Innovation and Excellence.

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Vasudha Pharma Chem Limited

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CAS Number

53786-28-0

End Use API

Domperidone

About the Company

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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