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Also known as: 147770-06-7, (s)-ethyl 2-ethoxy-4-(2-((3-methyl-1-(2-(piperidin-1-yl)phenyl)butyl)amino)-2-oxoethyl)benzoate, (s)-repaglinide ethyl ester (repaglinide impurity), (s)-repaglinide ethyl ester, Ethyl 2-ethoxy-4-[2-[[(1s)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]amino]-2-oxoethyl]benzoate, 3g7o9lrt91
Molecular Formula
C29H40N2O4
Molecular Weight
480.6  g/mol
InChI Key
FTCMVLQJMIXDSI-VWLOTQADSA-N
FDA UNII
3G7O9LRT91

CAS 147770-06-7
1 2D Structure

CAS 147770-06-7

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethyl 2-ethoxy-4-[2-[[(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]amino]-2-oxoethyl]benzoate
2.1.2 InChI
InChI=1S/C29H40N2O4/c1-5-34-27-19-22(14-15-24(27)29(33)35-6-2)20-28(32)30-25(18-21(3)4)23-12-8-9-13-26(23)31-16-10-7-11-17-31/h8-9,12-15,19,21,25H,5-7,10-11,16-18,20H2,1-4H3,(H,30,32)/t25-/m0/s1
2.1.3 InChI Key
FTCMVLQJMIXDSI-VWLOTQADSA-N
2.1.4 Canonical SMILES
CCOC1=C(C=CC(=C1)CC(=O)NC(CC(C)C)C2=CC=CC=C2N3CCCCC3)C(=O)OCC
2.1.5 Isomeric SMILES
CCOC1=C(C=CC(=C1)CC(=O)N[C@@H](CC(C)C)C2=CC=CC=C2N3CCCCC3)C(=O)OCC
2.2 Other Identifiers
2.2.1 UNII
3G7O9LRT91
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 147770-06-7

2. (s)-ethyl 2-ethoxy-4-(2-((3-methyl-1-(2-(piperidin-1-yl)phenyl)butyl)amino)-2-oxoethyl)benzoate

3. (s)-repaglinide Ethyl Ester (repaglinide Impurity)

4. (s)-repaglinide Ethyl Ester

5. Ethyl 2-ethoxy-4-[2-[[(1s)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]amino]-2-oxoethyl]benzoate

6. 3g7o9lrt91

7. (+)-ethyl 2-ethoxy-4-(((n-(1-(2-piperidinophenyl)-3-methyl-1-butyl)amino)carbonyl)methyl)benzoate

8. (s)-ethyl 2-ethoxy-4-(((n-(1-(2-piperidinophenyl)-3-methyl-1-butyl)amino)carbonyl)methyl)benzoate

9. Benzoic Acid, 2-ethoxy-4-(2-(((1s)-3-methyl-1-(2-(1-piperidinyl)phenyl)butyl)amino)-2-oxoethyl)-, Ethyl Ester

10. Ethyl 2-ethoxy-4-(2-(((1s)-3-methyl-1-(2-(piperidin-1-yl)phenyl)butyl)amino)-2-oxoethyl)benzoate

11. (s)-2-ethoxy-4-(2-(3-methyl-1-(2-(piperidin-1-yl)phenyl)butylamino)-2-oxoethyl)benzoic Acid Ethyl Ester

12. Benzoic Acid, 2-ethoxy-4-[2-[[(1s)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl]amino]-2-oxoethyl]-, Ethyl Ester

13. Ethyl 2-ethoxy-4-[2-[[(1s)-3-methyl-1-[2-(piperidin-1-yl)phenyl]butyl]amino]-2-oxoethyl]benzoate (repaglinide Ethyl Ester)

14. Repaglinide Impurity

15. Unii-3g7o9lrt91

16. Ethyl (s)-2-ethoxy-4-[n-[1-(2-piperidinophenyl)-3-methyl-1-butyl]aminocarbonylmethyl]benzoate

17. Ethyl (s)-2-ethoxy-4-[n-{1-(2-piperidinophenyl)-3-methyl-1-butyl}aminocarbonylmethyl]benzoate

18. Repaglinide Specified Impurity D [ep]

19. Ec 604-604-0

20. Schembl391046

21. Dtxsid30163798

22. Mfcd12911752

23. Zinc22066288

24. Akos015950800

25. Ds-9696

26. (+)-2-ethoxy-4-(n-3-methyl-1(s)-(2-(1-piperidinyl)phenyl)-butyl)carbamoylmethyl)

27. 2-ethoxy-4-(3-((s)-3-methy-1-(2-piperidin-1-yl-phenyl)-butylamino)-2-oxo-propyl)-benzoic Acid Ethyl Ester

28. Cs-0151514

29. Repaglinide Impurity D [ep Impurity]

30. Repaglinide Ethyl Ester [usp Impurity]

31. F52837

32. A884400

33. J-008409

34. Q27257171

35. (s)-ethyl2-ethoxy-4-(2-((3-methyl-1-(2-(piperidin-1-yl)phenyl)butyl)amino)-2-oxoethyl)benzoate

36. Benzoic Acid,2-ethoxy-4-[2-[[(1s)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl]amino]-2-oxoethyl]-,ethyl Ester

37. Ethyl (s)-2-ethoxy-4-(2-((3-methyl-1-(2-(piperidin-1-yl)phenyl)butyl)amino)-2-oxoethyl)benzoate

38. Ethyl (s)-2-ethoxy-4-[n-(1-(2-piperidino-phenyl)-3-methyl-1-butyl)-amino Carbonylmethyl]-benzoate

39. Ethyl (s)-2-ethoxy-4-[n-(1-(2-piperidino-phenyl)-3-methyl-1-butyl)-aminocarbonyl Methyl]-benzoate

40. Ethyl (s)-2-ethoxy-4-[n-(1-(2-piperidino-phenyl)-3-methyl-1-butyl)-aminocarbonylmethyl]-benzoate

41. Ethyl (s)-2-ethoxy-4-[n-(1-(2-piperidino-phenyl)-3-methyl-1-butyl)-aminocarbonylmethyl]benzoate

42. Ethyl (s)-2-ethoxy-4-[n-{1-(2-piperidinophenyl)-3-methyl-1-butyl}-aminocarbonylmethyl]benzoate

43. Ethyl(s)-2-ethoxy-4-[n-[1-(2-piperidinophenyl)-3-methyl-1-butyl]aminocarbonyl Methyl]benzoate

2.4 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 480.6 g/mol
Molecular Formula C29H40N2O4
XLogP35.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Exact Mass480.29880776 g/mol
Monoisotopic Mass480.29880776 g/mol
Topological Polar Surface Area67.9 Ų
Heavy Atom Count35
Formal Charge0
Complexity649
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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