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Chemistry

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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

10402-53-6

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 Formula	C₂₄H₃₄Cl₂N₂O₂
Molecular Weight	453.4 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	9
Exact Mass	452.1997337 g/mol
Monoisotopic Mass	452.1997337 g/mol
Topological Polar Surface Area	32.8 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	450
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3

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.)

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