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Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

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ACTIVE PHARMA INGREDIENTS

7 API Suppliers, 1 JDMF, 7 Listed Suppliers

7 API Suppliers
1 JDMF
7 Listed Suppliers

FINISHED DOSAGE FORMULATIONS

2 FDF Dossiers, 2 Listed Dossiers

2 FDF Dossiers
2 Listed Dossiers

Inabata Trepibutone

Synopsis

ACTIVE PHARMA INGREDIENTS

API Suppliers

USDMF

CEP/COS

JDMF

EU WC

KDMF

NDC API

VMF

Listed Suppliers

API REF. PRICE (USD/KG)

$ 0

MARKET PLACE

API

FDF

0INTERMEDIATES

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Chemistry

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Also known as: 41826-92-0, Supacal, 4-oxo-4-(2,4,5-triethoxyphenyl)butanoic acid, Aa 149; supacal, Colibil, 3-(2',4',5'-triethoxybenzoyl)propionic acid

Molecular Formula

C₁₆H₂₂O₆

Molecular Weight

310.34 g/mol

InChI Key

YPTFHLJNWSJXKG-UHFFFAOYSA-N

FDA UNII

H1187LU49Q

1 2D Structure

Trepibutone

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-oxo-4-(2,4,5-triethoxyphenyl)butanoic acid

2.1.2 InChI

InChI=1S/C16H22O6/c1-4-20-13-10-15(22-6-3)14(21-5-2)9-11(13)12(17)7-8-16(18)19/h9-10H,4-8H2,1-3H3,(H,18,19)

2.1.3 InChI Key

YPTFHLJNWSJXKG-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC1=CC(=C(C=C1C(=O)CCC(=O)O)OCC)OCC

2.2 Other Identifiers

2.2.1 UNII

H1187LU49Q

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 3-(2',4',5'-triethoxybenzoyl)propionic Acid

2. 3-(2',4',5'-triethoxybenzoyl)propionic Acid, Sodium Salt

3. Aa 149

2.3.2 Depositor-Supplied Synonyms

1. 41826-92-0

2. Supacal

3. 4-oxo-4-(2,4,5-triethoxyphenyl)butanoic Acid

4. Aa 149; Supacal

5. Colibil

6. 3-(2',4',5'-triethoxybenzoyl)propionic Acid

7. H1187lu49q

8. Ncgc00167448-01

9. Dsstox_cid_26634

10. Dsstox_rid_81781

11. Dsstox_gsid_46634

12. Trepibuton

13. Trepibutonum

14. Triethoxybenzoylpropionate

15. Trepibutone [inn:jan]

16. Trepibuton [inn-spanish]

17. Trepibutonum [inn-latin]

18. Cas-41826-92-0

19. 3-(2,4,5-triethoxybenzoyl)propionic Acid

20. Aa149

21. Brn 2059640

22. Choliatron

23. Unii-h1187lu49q

24. Trepibutone ,(s)

25. Supacal (tn)

26. 2,4,5-triethoxy-gamma-oxobenzenebutanoic Acid

27. Trepibutone [mi]

28. Trepibutone [inn]

29. Trepibutone [jan]

30. Propionic Acid, 3-(2,4,5-triethoxybenzoyl)-

31. Trepibutone (jp17/inn)

32. Trepibutone [mart.]

33. Schembl25039

34. Trepibutone [who-dd]

35. Zinc2208

36. Chembl1725880

37. Dtxsid6046634

38. Chebi:32255

39. Bcp13812

40. Tox21_112452

41. Aa-149

42. Akos015896171

43. Tox21_112452_1

44. Db13311

45. Ncgc00167448-02

46. 3-(2,4,5-triethoxybenzoyl)propionicacid

47. Bs-52034

48. Hy-108283

49. Cs-0028138

50. 4-oxo-4-(2,4,5-triethoxyphenyl)butanoicacid

51. Aa149; Aa 149; Aa-149

52. D01365

53. F74234

54. 3-(2',4',5'-triethoxybenzoyl)-propionic Acid

55. 826t920

56. Q7838676

2.4 Create Date

2005-03-25

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₂₂O₆
Molecular Weight	310.34 g/mol
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	10
Exact Mass	310.14163842 g/mol
Monoisotopic Mass	310.14163842 g/mol
Topological Polar Surface Area	82.1 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	357
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 ATC Code

A - Alimentary tract and metabolism

A03 - Drugs for functional gastrointestinal disorders

A03A - Drugs for functional gastrointestinal disorders

A03AX - Other drugs for functional gastrointestinal disorders

A03AX09 - Trepibutone

API SUPPLIERS

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JDMF

01

Pharmasynthesis SAS

France

AES 2024

Not Confirmed

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

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France

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Digital Content

JP Trepibutone (for manufacturing only)

Registration Number : 223MF10168

Registrant's Address : 57, rue Gravetel St Pierre Les Elbeuf France

Initial Date of Registration : 2011-12-09

Latest Date of Registration : 2011-12-09

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Listed Suppliers

01

Inabata France S.A.S

France

AES 2024

Not Confirmed

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

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France

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Digital Content

Trepibutone

About the Company : Established in 1990, Inabata France, a part of the Inabata Group, used to export chemical and pharmaceutical products to Japan. In 2006, it acquired Pharmasynthèse. Today, Inabata...

Established in 1990, Inabata France, a part of the Inabata Group, used to export chemical and pharmaceutical products to Japan. In 2006, it acquired Pharmasynthèse. Today, Inabata-Pharmasynthèse offers a wide range of services, including sourcing, manufacturing, and the development of raw materials for the pharmaceutical and cosmetic industries. It supplies these ingredients to Europe, Japan, and other countries. With expertise in fine chemical production, Inabata-Pharmasynthèse conducts manufacturing operations, ranging from pilot to commercial quantities, at its GMP-certified facility at St. Pierre-Les-Elbeuf in France.