Propacetamol HCl

Synopsis, Chemistry

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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

Propacetamol HCl

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 Formula	C₁₄H₂₁ClN₂O₃
Molecular Weight	300.78 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	300.1240702 g/mol
Monoisotopic Mass	300.1240702 g/mol
Topological Polar Surface Area	58.6 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	295
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	2