Itopride Hydrochloride

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Also known as: 122892-31-3, Itopride hcl, Ganaton, Itopride (hydrochloride), Hsr803, Hsr-803

Molecular Formula

C₂₀H₂₇ClN₂O₄

Molecular Weight

394.9 g/mol

InChI Key

ZTOUXLLIPWWHSR-UHFFFAOYSA-N

FDA UNII

2H9NV66W0I

1 2D Structure

Itopride Hydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,4-dimethoxybenzamide;hydrochloride

2.1.2 InChI

InChI=1S/C20H26N2O4.ClH/c1-22(2)11-12-26-17-8-5-15(6-9-17)14-21-20(23)16-7-10-18(24-3)19(13-16)25-4;/h5-10,13H,11-12,14H2,1-4H3,(H,21,23);1H

2.1.3 InChI Key

ZTOUXLLIPWWHSR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN(C)CCOC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)OC)OC.Cl

2.2 Other Identifiers

2.2.1 UNII

2H9NV66W0I

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Hsr 803

2. Hsr-803

3. N-(4-(2-(dimethylamino)ethoxy)benzyl)-3,4-dimethoxybenzmide

2.3.2 Depositor-Supplied Synonyms

1. 122892-31-3

2. Itopride Hcl

3. Ganaton

4. Itopride (hydrochloride)

5. Hsr803

6. Hsr-803

7. Itax

8. Hsr 803

9. Benzamide, N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,4-dimethoxy-, Hydrochloride (1:1)

10. 2h9nv66w0i

11. N-(4-(2-(dimethylamino)ethoxy)benzyl)-3,4-dimethoxybenzamide Hydrochloride

12. N-[4-(2-dimethylaminoethoxy)benzyl]-3,4-dimethoxybenzamide Hcl

13. 122892-31-3 (hcl)

14. Benzamide, N-((4-(2-(dimethylamino)ethoxy)phenyl)methyl)-3,4-dimethoxy-, Monohydrochloride

15. Dsstox_cid_26693

16. Dsstox_rid_81827

17. Dsstox_gsid_46693

18. Itopride Hydrochloride (jan)

19. Itopride Hydrochloride [jan]

20. Cas-122892-31-3

21. Ncgc00167529-01

22. Unii-2h9nv66w0i

23. N-[4-[2-(dimethylamino)ethoxy]benzyl]-3,4-dimethoxybenzamide Hydrochloride

24. Ganaton (tn)

25. Mfcd00881710

26. N-(4-(2-(dimethylamino)ethoxy)benzyl)-3,4-dimethoxidebenzamide Hydrochloride

27. N-((4-(2-(dimethylamino)ethoxy)phenyl)methyl)-3,4-dimethoxybenzamide Monohydrochloride

28. Mls001401433

29. Schembl554675

30. Chembl2139257

31. Dtxsid5046693

32. N-(4-(2-(dimethylamino)ethoxy)benzyl)-3,4-dimethoxybenzmide

33. Itopride Hydrochloride [mi]

34. Amy18457

35. Bcp12149

36. Hy-b0732

37. Tox21_112526

38. S4619

39. Akos007930375

40. Itopride Hydrochloride [mart.]

41. N-[4-(2-dimethylaminoethoxy)benzyl]-3,4-dimethoxybenzamide Hydrochloride

42. Tox21_112526_1

43. Ab07646

44. Ccg-101047

45. Itopride Hydrochloride [who-dd]

46. Ks-5067

47. Nc00297

48. Itopride Hydrochloride, >=98% (hplc)

49. Ncgc00167529-02

50. Ac-32564

51. Smr000469143

52. Ft-0631110

53. I0948

54. D02729

55. 892i313

56. A804984

57. Q-201260

58. Q27254746

59. N-{p-[2-(dimethylamino)ethoxy]benzyl}veratramide Hydrochloride

60. N-((4-(2-(dimethylamino)ethoxy)phenyl)methyl)-3,4-dimethoxy-benzamidmonohydrochloride

61. N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,4-dimethoxybenzamide;hydrochloride

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₇ClN₂O₄
Molecular Weight	394.9 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	9
Exact Mass	394.1659350 g/mol
Monoisotopic Mass	394.1659350 g/mol
Topological Polar Surface Area	60 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	411
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