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2D Structure
Also known as: 10402-53-6, Eprazinone hydrochloride, Eftapan, Resplen, 3-(4-(2-ethoxy-2-phenylethyl)piperazin-1-yl)-2-methyl-1-phenylpropan-1-one dihydrochloride, Mucitux
Molecular Formula
C24H34Cl2N2O2
Molecular Weight
453.4  g/mol
InChI Key
BPMQVOKMMQFZGV-UHFFFAOYSA-N
FDA UNII
394X1L8I9Y

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-2-methyl-1-phenylpropan-1-one;dihydrochloride
2.1.2 InChI
InChI=1S/C24H32N2O2.2ClH/c1-3-28-23(21-10-6-4-7-11-21)19-26-16-14-25(15-17-26)18-20(2)24(27)22-12-8-5-9-13-22;;/h4-13,20,23H,3,14-19H2,1-2H3;2*1H
2.1.3 InChI Key
BPMQVOKMMQFZGV-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC(CN1CCN(CC1)CC(C)C(=O)C2=CC=CC=C2)C3=CC=CC=C3.Cl.Cl
2.2 Other Identifiers
2.2.1 UNII
394X1L8I9Y
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 1-(2-phenyl-2-ethoxy)ethyl-4-(2-benzyloxy)propylpiperazine

2. 1-(2-phenyl-2-ethoxy)ethyl-4-(3-phenyl-2-methyl-3-propanone)piperazine

3. 3-(4-(beta-ethoxyphenethyl)-1-piperazinyl)-2-methylpropiophenone

4. 746 Ce

5. Eftapan

6. Eprazinone

7. Eprazinone Dihydrochloride, 3-(14)c-labeled

8. Eprazinone Hydrochloride

2.3.2 Depositor-Supplied Synonyms

1. 10402-53-6

2. Eprazinone Hydrochloride

3. Eftapan

4. Resplen

5. 3-(4-(2-ethoxy-2-phenylethyl)piperazin-1-yl)-2-methyl-1-phenylpropan-1-one Dihydrochloride

6. Mucitux

7. Eprazinone Hcl

8. Nsc 317935

9. Eprazinone Hydrochloride [jan]

10. Eprazinone (dihydrochloride)

11. Chebi:31551

12. 394x1l8i9y

13. 1-(2-benzoylpropyl)-2-(2-ethoxy-2-phenylethyl)piperazine Dihydrochloride

14. 1-(2-phenyl-2-ethoxy)ethyl-4-(2-benzyloxy)propylpiperazine Dihydrochloride

15. 2-(4-(beta-ethoxyphenethyl)-1-piperazinylmethyl)propiophenone Dihydrochloride

16. Dsstox_cid_26631

17. Dsstox_rid_81779

18. Dsstox_gsid_46631

19. Eprazinone Hydrochloride (jan)

20. 3-(4-(2-ethoxy-2-phenylethyl)piperazin-1-yl)-2-methyl-1-phenylpropan-1-one 2hcl

21. 3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-2-methyl-1-phenylpropan-1-one Dihydrochloride

22. Cas-10402-53-6

23. Nsc-317935

24. Ncgc00167445-01

25. Einecs 233-872-8

26. 746 Ce

27. Unii-394x1l8i9y

28. Eprazinone Dihcl

29. Resplen (tn)

30. Eprazinonedihydrochloride

31. 1-propanone, 3-(4-(2-ethoxy-2-phenylethyl)-1-piperazinyl)-2-methyl-1-phenyl-, Dihydrochloride

32. 3-(4-(2-ethoxy-2-phenylethyl)-1-piperazinyl)-2-methyl-1-phenyl-1-propanone Dihydrochloride

33. 3-(4-(beta-ethoxyphenethyl)-1-piperazinyl)-2-methyl-1-propiophenone Dihydrochloride

34. Chembl2359721

35. Dtxsid1046631

36. Schembl21807703

37. Hy-b2078a

38. Bcp13485

39. Tox21_112449

40. Mfcd01695215

41. S4137

42. Akos016008437

43. Tox21_112449_1

44. Ac-8087

45. Ccg-269264

46. Ds-3924

47. Eprazinone Dihydrochloride [mi]

48. 3-(4-(beta-ethoxyphenethyl)-1-piperazinyl)-2-methylpropiophenone Dihydrochloride

49. Eprazinone Hydrochloride [mart.]

50. Propiophenone, 2-(4-(beta-ethoxyphenethyl)-1-piperazinyl)methyl-, Dihydrochloride

51. Eprazinone Hydrochloride [who-dd]

52. Ncgc00167445-02

53. Cs-0019683

54. D01106

55. 402e536

56. A896306

57. Q27104199

58. 1-(2-ethoxy-2-phenylethyl)-4-(2-methyl-3-oxo-3-phenylpropyl)piperazinediium Dichloride

59. 3-(4-(.beta.-ethoxyphenethyl)piperazin-1-yl)-2-methylpropiophenone Dihydrochloride

60. 1-(2-benzoylpropyl)-4-(2-ethoxy-2-phenylethyl)piperazine Dihydrochloride; 3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-2-methyl-1-phenylpropan-1-one Dihydrochloride;eprazinone 2hcl

2.4 Create Date
2005-06-24
3 Chemical and Physical Properties
Molecular Weight 453.4 g/mol
Molecular Formula C24H34Cl2N2O2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass452.1997337 g/mol
Monoisotopic Mass452.1997337 g/mol
Topological Polar Surface Area32.8 Ų
Heavy Atom Count30
Formal Charge0
Complexity450
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Expectorants

Agents that increase mucous excretion. Mucolytic agents, that is drugs that liquefy mucous secretions, are also included here. (See all compounds classified as Expectorants.)