Virtual Booth

Contact Supplier

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

ACCESS ALL DATA
Browse all information
CHEMISTRY
Discover Molecule Insights

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

FINISHED DOSAGE FORMULATIONS

FDF Dossiers

FDA Orange Book

Europe

Canada

Australia

South Africa

Listed Dossiers

0 DRUGS IN DEVELOPMENT

DRUG PRODUCT COMPOSITIONS

REF. STANDARDS OR IMPURITIES

EDQM

USP

Others

PATENTS & EXCLUSIVITIES

US Patents

US Exclusivities

Health Canada Patents

DIGITAL CONTENT

Data Compilation #PharmaFlow

Stock Recap #PipelineProspector

Weekly News Recap #Phispers

News #PharmaBuzz

GLOBAL SALES INFORMATION

US Medicaid (USD)

Annual Reports (USD Million)

Finished Drug Prices

0RELATED EXCIPIENT COMPANIES

0EXCIPIENTS BY APPLICATIONS

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

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