MolPort-002-132-736

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Also known as: 50-42-0, Adiphenine hcl, Patrovina, Spasnil, Sentiv, Adiphenine (hydrochloride)

Molecular Formula

C₂₀H₂₆ClNO₂

Molecular Weight

347.9 g/mol

InChI Key

LKPINBXAWIMZCG-UHFFFAOYSA-N

FDA UNII

42B4PDY0AV

1 2D Structure

MolPort-002-132-736

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(diethylamino)ethyl 2,2-diphenylacetate;hydrochloride

2.1.2 InChI

InChI=1S/C20H25NO2.ClH/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5-14,19H,3-4,15-16H2,1-2H3;1H

2.1.3 InChI Key

LKPINBXAWIMZCG-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCN(CC)CCOC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2.Cl

2.2 Other Identifiers

2.2.1 UNII

42B4PDY0AV

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 50-42-0

2. Adiphenine Hcl

3. Patrovina

4. Spasnil

5. Sentiv

6. Adiphenine (hydrochloride)

7. Trasentin Hydrochloride

8. Adiphenine Chloride

9. Adiphen Hydrochloride

10. Difacil Hydrochloride

11. Adifenin Hydrochloride

12. Diphacil Hydrochloride

13. Trasentine Hydrochloride

14. Transentine Hydrochloride

15. Adiphenine Hydrochloride [usan]

16. 2-(diethylamino)ethyl Diphenylacetate Hydrochloride

17. Diphenylacetic Acid 2-(diethylamino)ethyl Ester Hydrochloride

18. Diphenylacetyldiethylaminoethyl Hydrochloride

19. 2-(diethylamino)ethyl 2,2-diphenylacetate Hydrochloride

20. Nsc-129224

21. 42b4pdy0av

22. Mls000028404

23. Acetic Acid, Diphenyl-, 2-(diethylamino)ethyl Ester, Hydrochloride

24. Diphenylacetate Du Diethylamino-ethanol Chlorhydrate

25. Ncgc00094995-01

26. Smr000058354

27. Vegantin

28. Dsstox_cid_25880

29. Dsstox_rid_81196

30. Dsstox_gsid_45880

31. Adipheninium Chloratum

32. 2-(diethylamino)ethyl 2,2-diphenylacetate;hydrochloride

33. Adiphenine Hydrochloride (usan)

34. Spasmolytin Hydrochloride

35. Benzeneacetic Acid, .alpha.-phenyl-2-(diethylamino)ethyl Ester Hydrochloride

36. Nsc129224

37. Cas-50-42-0

38. Einecs 200-036-9

39. Unii-42b4pdy0av

40. Nsc 129224

41. Diphenylacetic Acid 2-(diethylamino)ethyl Ester

42. Sr-01000000075

43. Prestwick_7

44. Diphenylacetate Du Diethylamino-ethanol Chlorhydrate [french]

45. Opera_id_604

46. Ethanol, 2-(diethylamino)-, 2,2-diphenylacetate, Hydrochloride

47. Trasentine, Hydrochloride

48. Benzeneacetic Acid, Alpha-phenyl-, 2-(diethylamino)ethyl Ester, Hydrochloride

49. Regid_for_cid_5763

50. Schembl33478

51. Mls001076478

52. Mls002222150

53. Spectrum1503073

54. Adiphenine Hydrochloride, 98%

55. Chembl555654

56. Dtxsid0045880

57. Hy-b0379a

58. Hms1568o11

59. Hms1922c11

60. Pharmakon1600-01503073

61. Wln: 2n2&2ovyr&r &gh

62. Bcp22622

63. Tox21_111379

64. Ac-013

65. Adiphenine Hydrochloride [mi]

66. Ccg-39173

67. Mfcd00050508

68. Nsc758234

69. S2082

70. Akos015900392

71. Benzeneacetic Acid, Alpha-phenyl-2-(diethylamino)ethyl Ester Hydrochloride

72. Tox21_111379_1

73. Nsc-758234

74. Adiphenine Hydrochloride [mart.]

75. Adiphenine Hydrochloride [who-dd]

76. Ncgc00016221-06

77. Ncgc00094995-02

78. Ncgc00094995-03

79. As-15686

80. Adiphenine Hydrochloride, Analytical Standard

81. Ethanol, 2,2-diphenylacetate, Hydrochloride

82. Ft-0657379

83. Sw196325-3

84. D02772

85. D88523

86. 2-diethylaminoethyl Diphenylacetate Hydrochloride

87. A828115

88. Sr-01000000075-4

89. Q27258524

90. 2-(diethylamino)ethyl 2,2-diphenylacetate;hydron;chloride

91. 2-(diethylamino)ethyl 2,2-diphenylethanoate Hydrochloride

92. Adiphenine Hcl; Nsc 129224; Nsc-129224; Nsc129224

93. 2,2-diphenylacetic Acid 2-(diethylamino)ethyl Ester Hydrochloride

94. Benzeneacetic Acid, A-phenyl-, 2-(diethylamino)ethyl Ester,hydrochloride

2.4 Create Date

2005-07-28

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₆ClNO₂
Molecular Weight	347.9 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	9
Exact Mass	347.1652068 g/mol
Monoisotopic Mass	347.1652068 g/mol
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	311
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