Please Wait
Applying Filters...
Menu
Xls
2D Structure
Also known as: 66532-86-3, Propacetamol hcl, 4-acetamidophenyl 2-(diethylamino)acetate hydrochloride, Pro-efferalgan, Pro-dafalgan, 4-acetamidophenyl n,n-diethylaminoacetate monohydrochloride
Molecular Formula
C14H21ClN2O3
Molecular Weight
300.78  g/mol
InChI Key
WGTYJNGARJPYKG-UHFFFAOYSA-N
FDA UNII
SH41QYH8E5

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(4-acetamidophenyl) 2-(diethylamino)acetate;hydrochloride
2.1.2 InChI
InChI=1S/C14H20N2O3.ClH/c1-4-16(5-2)10-14(18)19-13-8-6-12(7-9-13)15-11(3)17;/h6-9H,4-5,10H2,1-3H3,(H,15,17);1H
2.1.3 InChI Key
WGTYJNGARJPYKG-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCN(CC)CC(=O)OC1=CC=C(C=C1)NC(=O)C.Cl
2.2 Other Identifiers
2.2.1 UNII
SH41QYH8E5
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 66532-86-3

2. Propacetamol Hcl

3. 4-acetamidophenyl 2-(diethylamino)acetate Hydrochloride

4. Pro-efferalgan

5. Pro-dafalgan

6. 4-acetamidophenyl N,n-diethylaminoacetate Monohydrochloride

7. Propacetamol (hydrochloride)

8. Sh41qyh8e5

9. Pro-efferalgan; Up 34101

10. (4-acetamidophenyl) 2-(diethylamino)acetate Hydrochloride

11. 4-acetamidophenyl 2-(diethylamino)acetate Hcl

12. Glycine, N,n-diethyl-, 4-(acetylamino)phenyl Ester, Monohydrochloride

13. Up-34101

14. Unii-sh41qyh8e5

15. Einecs 266-391-7

16. Pro-dafalgan (tn)

17. Propacetamol Hcl Sterile

18. Propacetamolhydrochloride

19. Chembl1795480

20. Dtxsid60216721

21. N,n-diethylglycine 4-(acetylamino)phenyl Ester Hydrochloride

22. Bcp21307

23. Mfcd00941392

24. S4867

25. Akos015888645

26. Ac-4240

27. Ccg-267476

28. Propacetamol Hydrochloride [mi]

29. As-14148

30. Propacetamol Hydrochloride [mart.]

31. Propacetamol Hydrochloride [who-dd]

32. Hy-108292

33. Propacetamol Hydrochloride, >=98% (hplc)

34. Cs-0028157

35. Ft-0655178

36. C76095

37. D08434

38. Propacetamol Hydrochloride [ep Monograph]

39. 4-acetamidophenyl Diethylaminoacetate Hydrochloride

40. 532p852

41. A867433

42. P-acetamidophenyl Diethylaminoacetate Hydrochloride

43. Q27289205

44. (4-acetamidophenyl) 2-(diethylamino)acetate;hydrochloride

45. (4-acetamidophenyl) 2-(diethylamino)ethanoate Hydrochloride

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 300.78 g/mol
Molecular Formula C14H21ClN2O3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass300.1240702 g/mol
Monoisotopic Mass300.1240702 g/mol
Topological Polar Surface Area58.6 Ų
Heavy Atom Count20
Formal Charge0
Complexity295
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2