CAS 29976-53-2

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Also known as: 29976-53-2, Ethyl 4-oxopiperidine-1-carboxylate, Ethyl 4-oxo-1-piperidinecarboxylate, N-carboethoxy-4-piperidone, 1-ethoxycarbonyl-4-piperidone, 1-carbethoxy-4-piperidone

Molecular Formula

C₈H₁₃NO₃

Molecular Weight

171.19 g/mol

InChI Key

LUBGFMZTGFXIIN-UHFFFAOYSA-N

FDA UNII

7H5JX1S259

1 2D Structure

CAS 29976-53-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl 4-oxopiperidine-1-carboxylate

2.1.2 InChI

InChI=1S/C8H13NO3/c1-2-12-8(11)9-5-3-7(10)4-6-9/h2-6H2,1H3

2.1.3 InChI Key

LUBGFMZTGFXIIN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC(=O)N1CCC(=O)CC1

2.2 Other Identifiers

2.2.1 UNII

7H5JX1S259

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 29976-53-2

2. Ethyl 4-oxopiperidine-1-carboxylate

3. Ethyl 4-oxo-1-piperidinecarboxylate

4. N-carboethoxy-4-piperidone

5. 1-ethoxycarbonyl-4-piperidone

6. 1-carbethoxy-4-piperidone

7. 1-piperidinecarboxylic Acid, 4-oxo-, Ethyl Ester

8. N-ethoxycarbonyl-4-piperidone

9. 4-oxo-1-piperidinecarboxylic Acid Ethyl Ester

10. 1-(ethoxycarbonyl)-4-piperidone

11. Mfcd00006188

12. 1-ethoxycarbonyl-4-piperidinone

13. 1-ethoxycarbonyl-4-oxopiperidine

14. N-ethoxycarbonyl-4-piperidinone

15. 4-oxo-piperidine-1-carboxylic Acid Ethyl Ester

16. 7h5jx1s259

17. Nsc-139022

18. N-carbethoxy-4-piperidon

19. Unii-7h5jx1s259

20. Ethyl 4-oxopiperidinecarboxylate

21. Einecs 249-984-5

22. Loratadine Impurity H

23. 1-carboethoxy-4-piperidone

24. N-carbethoxy-4-piperidinone

25. 1-carbethoxypiperidin-4-one

26. Dsstox_cid_31493

27. Dsstox_rid_97378

28. Dsstox_gsid_57704

29. Schembl158497

30. Dtxsid0057704

31. Ethyl 4-piperidone-n-carboxylate

32. Zinc155166

33. Act02145

34. Bcp23114

35. Hy-y0217

36. Tox21_113793

37. Nsc139022

38. Stl183271

39. Ethyl 4-oxo-piperidine-1-carboxylate

40. Akos000119559

41. Gs-3033

42. Nsc 139022

43. 1-(carboethoxy)-4-piperidinone

44. Ncgc00253669-01

45. Ethyl 4-oxo-1-piperidinecarboxylate, 98%

46. Cas-29976-53-2

47. Db-002178

48. Loratadine Impurity H [ep Impurity]

49. A5543

50. Am20090403

51. Cs-0008473

52. E0403

53. Ft-0607567

54. 4-oxopiperidine-1-carboxylic Acid Ethyl Ester

55. Sr-01000944742

56. Sr-01000944742-1

57. W-106965

58. Q27268281

59. Z33618657

60. F1908-0061

61. Ethyl 4-oxopiperidine-1-carboxylate;ethyl4-oxopiperidine-1-carboxylate

62. Loratadine Impurity H, European Pharmacopoeia (ep) Reference Standard

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₃NO₃
Molecular Weight	171.19 g/mol
XLogP3	-0.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	171.08954328 g/mol
Monoisotopic Mass	171.08954328 g/mol
Topological Polar Surface Area	46.6 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	181
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

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SUPPLIERS

01 Vamsi Labs

India

CPhI India 2024

Booth #2.D31

Vamsi Labs is one of the major manufacturers of Anti-asthmatic, Anti-migraine & Anti-psychotic APIs.

N-Carbethoxy-4-Piperidone

CAS Number : 29976-53-2

End Use API : Domperidone, Haloperidol

02 Tagoor Laboratories

India

CPhI India 2024

Booth #4.H31

Tagoor's product development expertise, backed by our comprehensive understanding of the processes, helps us offer high-quality APIs.

N-Carbethoxy-4-piperidone

CAS Number : 29976-53-2

End Use API : Loratadine, Sufentanil Citrate, Tedatioxetine Hydrobromide

Only 10 entries up to this point, click to access all

END USE APIs

01

Domperidone

LGM Pharma

U.S.A

LGM Pharma accelerates & optimizes the new product pathway from early development through commercialization.

Metrochem API Private Lim...

India

Metrochem has been delivering customized volume & quality products to customers across the world, taking utmost care of their needs.

Octavius Pharma Pvt. Ltd

India

Octavius has been empowering lives since 1980 by providing quality products like DC granules, APIs and FDFs.

Tagoor Laboratories

India

Tagoor's product development expertise, backed by our comprehensive understanding of the processes, helps us offer high-quality APIs.

Aurobindo Pharma Limited

India

Chemeca Drugs

India

02

Haloperidol

Vamsi Labs

India

Vamsi Labs is one of the major manufacturers of Anti-asthmatic, Anti-migraine & Anti-psychotic APIs.

LGM Pharma

U.S.A

LGM Pharma accelerates & optimizes the new product pathway from early development through commercialization.

DKSH

Switzerland

DKSH is your trusted partner for companies looking to grow their business in Asia & beyond.

Fareva

Luxembourg

Fareva is a one-stop-shop for API/HPAPI, OSD & Sterile products, is USFDA, EMA and PMDA-inspected and has multiple NDA & ANDA filings.

Jai Radhe Sales

India

Jai Radhe Sales is your partner for all your sourcing needs.

Nortec Quimica

Brazil

Nortec Quimica is the largest API manufacturer in Latin America.

03

Loratadine

Inabata France S.A.S

France

IKF/Pharmasynthese have been with fine chemicals market and APIs performance for more than 40 years.

Tagoor Laboratories

India

Tagoor's product development expertise, backed by our comprehensive understanding of the processes, helps us offer high-quality APIs.

Inke S.A

Spain

Inke S.A: APIs manufacturing plant.

LGM Pharma

U.S.A

LGM Pharma accelerates & optimizes the new product pathway from early development through commercialization.

DKSH

Switzerland

DKSH is your trusted partner for companies looking to grow their business in Asia & beyond.

Jai Radhe Sales

India

Jai Radhe Sales is your partner for all your sourcing needs.

04

Sufentanil Citrate

Veranova

U.S.A

Veranova: A CDMO that manages complexity with confidence.

Tofigh Daru

Iran

Tofigh Daru develops & synthesizes a diverse range of APIs in Anticancer, Narcotics, Cardiovascular to Immunomodulatory Segments.

LGM Pharma

U.S.A

LGM Pharma accelerates & optimizes the new product pathway from early development through commercialization.

Rusan Pharma

India

Rusan Pharma: Over 30 years of specializing in the treatment of Addiction and Pain Management.

Parand Darou Pharma

Iran

Parand Darou is a knowledge-based company, focused on the production of Narcotic APIs.

Arevipharma

Germany

05

Tedatioxetine Hydrobromide

H. Lundbeck AS

Denmark

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CHEMISTRY

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