Perhexiline Maleate

Synopsis, Chemistry

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Also known as: 6724-53-4, Rac perhexiline maleate, Pexid, Perhexiline maleate salt, 2-(2,2-dicyclohexylethyl)piperidine maleate, Perhexiline maleate [usan]

Molecular Formula

C₂₃H₃₉NO₄

Molecular Weight

393.6 g/mol

InChI Key

JDZOTSLZMQDFLG-BTJKTKAUSA-N

FDA UNII

84LEC42PQ8

1 2D Structure

Perhexiline Maleate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(Z)-but-2-enedioic acid;2-(2,2-dicyclohexylethyl)piperidine

2.1.2 InChI

InChI=1S/C19H35N.C4H4O4/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18;5-3(6)1-2-4(7)8/h16-20H,1-15H2;1-2H,(H,5,6)(H,7,8)/b;2-1-

2.1.3 InChI Key

JDZOTSLZMQDFLG-BTJKTKAUSA-N

2.1.4 Canonical SMILES

C1CCC(CC1)C(CC2CCCCN2)C3CCCCC3.C(=CC(=O)O)C(=O)O

2.1.5 Isomeric SMILES

C1CCC(CC1)C(CC2CCCCN2)C3CCCCC3.C(=C\C(=O)O)\C(=O)O

2.2 Other Identifiers

2.2.1 UNII

84LEC42PQ8

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 6724-53-4

2. Rac Perhexiline Maleate

3. Pexid

4. Perhexiline Maleate Salt

5. 2-(2,2-dicyclohexylethyl)piperidine Maleate

6. Perhexiline Maleate [usan]

7. Perhexilinum

8. Nsc-758409

9. 2-(2,2-dicyclohexylethyl)piperidine Maleate (1:1)

10. Perhexiline Maleate, (+)-

11. Perhexiline Maleate, (-)-

12. Mls000028601

13. Mls001077289

14. 84lec42pq8

15. 9gn57xtp25

16. K7v8y90g0h

17. Piperidine, 2-(2,2-dicyclohexylethyl)-, Maleate (1:1)

18. Piperidine, 2-(2,2-dicyclohexylethyl)-, (z)-2-butenedioate (1:1)

19. Ncgc00095025-01

20. (z)-but-2-enedioic Acid;2-(2,2-dicyclohexylethyl)piperidine

21. Smr000058713

22. Dsstox_cid_1114

23. Perhexiline Maleate (usan)

24. Dsstox_rid_75947

25. Dsstox_gsid_21114

26. Piperidine, 2-(2,2-dicyclohexylethyl)-, (+)-, (2z)-2-butenedioate (1:1)

27. Piperidine, 2-(2,2-dicyclohexylethyl)-, (+)-, (z)-2-butenedioate (1:1)

28. Piperidine, 2-(2,2-dicyclohexylethyl)-, (-)-, (2z)-2-butenedioate (1:1)

29. Piperidine, 2-(2,2-dicyclohexylethyl)-, (-)-, (z)-2-butenedioate (1:1)

30. 103516-75-2

31. 103516-76-3

32. Smr000653478

33. Ccris 5491

34. Sr-01000000246

35. Einecs 229-775-5

36. 2-(2,2-dicyclohexylethyl)piperidine 2-butenedioate

37. Unii-k7v8y90g0h

38. Pexsid

39. Pexsig

40. 2-[2,2-dicyclohexylethyl]piperidine Maleate Salt

41. 2-(2,2-dicyclohexylethyl)piperidine Acid Maleate

42. Prestwick_636

43. 2-(2,2-dicyclohexylethyl)piperidinium Hydrogen Maleate

44. Piperidine, 2-(2,2-dicyclohexylethyl)-, (2z)-2-butenedioate (1:1)

45. Opera_id_1791

46. Perhexilline Maleate

47. Cas-6724-53-4

48. Perhexilinum [hpus]

49. Unii-84lec42pq8

50. Unii-9gn57xtp25

51. Mls006010628

52. Schembl123149

53. Spectrum1503227

54. Chembl1334033

55. Dtxsid1021114

56. Perhexiline Maleate [mi]

57. Hms501l04

58. Hy-b1334a

59. 2-(2,2-dicyclohexylethyl)piperidine (2z)-but-2-enedioate

60. Regid_for_cid_5284439

61. Hms1568j14

62. Hms1922k11

63. Hms2092p06

64. Hms2095j14

65. Hms2231c20

66. Hms2231n03

67. Hms3712j14

68. Pharmakon1600-01503227

69. Perhexiline Maleate [mart.]

70. Tox21_111395

71. Ccg-39317

72. Nsc758409

73. Perhexiline Maleate [who-dd]

74. S6959

75. Akos024285312

76. Tox21_111395_1

77. Cs-7871

78. Nsc 758409

79. Ncgc00018261-06

80. Ncgc00095025-02

81. Ncgc00095025-03

82. Ncgc00095025-04

83. Perhexiline Maleate Salt, >=98% (hplc)

84. Vu0239842-5

85. D05442

86. Sr-01000000246-2

87. Sr-01000000246-4

88. Q27282064

89. Piperidine, 2-(2,2-dicyclohexylethyl)-, Maleate

2.4 Create Date

2005-06-29

3 Chemical and Physical Properties

Molecular Formula	C₂₃H₃₉NO₄
Molecular Weight	393.6 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	393.28790873 g/mol
Monoisotopic Mass	393.28790873 g/mol
Topological Polar Surface Area	86.6 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	364
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2