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Chemistry

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Also known as: 543-15-7, 6-amino-2-methyl-2-heptanol hydrochloride, Cardiosintol, Cortensor, Heptylon, Isoktamil

Molecular Formula

C₈H₂₀ClNO

Molecular Weight

181.70 g/mol

InChI Key

JZNBMCOSOXIZJB-UHFFFAOYSA-N

FDA UNII

XB3RM40HIR

An amino alcohol that has been used as a myocardial stimulant and vasodilator and to relieve bronchospasm. Its most common therapeutic use is in orthostatic hypotension. The mechanism of heptaminol's therapeutic actions is not well understood although it has been suggested to affect catecholamine release or calcium metabolism.

1 2D Structure

Heptaminol

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

6-amino-2-methylheptan-2-ol;hydrochloride

2.1.2 InChI

InChI=1S/C8H19NO.ClH/c1-7(9)5-4-6-8(2,3)10;/h7,10H,4-6,9H2,1-3H3;1H

2.1.3 InChI Key

JZNBMCOSOXIZJB-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(CCCC(C)(C)O)N.Cl

2.2 Other Identifiers

2.2.1 UNII

XB3RM40HIR

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Cardiomax

2. Heptaminol

2.3.2 Depositor-Supplied Synonyms

1. 543-15-7

2. 6-amino-2-methyl-2-heptanol Hydrochloride

3. Cardiosintol

4. Cortensor

5. Heptylon

6. Isoktamil

7. Izoktamil

8. Respirin

9. Corasor

10. Eoden

11. Arcor Tropfen

12. Heptamyl Hydrochloride

13. Heptaminol (hydrochloride)

14. Heptamyl

15. 2-methyl-6-amino-2-heptanol Hydrochloride

16. 2-heptanol, 6-amino-2-methyl-, Hydrochloride

17. 6-methyl-2-amino-6-heptanol Hydrochloride

18. Xb3rm40hir

19. Nsc-758406

20. 6-amino-2-methylheptan-2-ol Hydrochloride

21. 6-amino-2-methylheptan-2-ol;hydrochloride

22. Heptamyl Tropfen

23. 2831rp

24. Rp 2831

25. Rp-2831

26. Ncgc00095021-01

27. Coreptil

28. Delmiton

29. Heptylon Tropfen

30. Dsstox_cid_25891

31. Dsstox_rid_81205

32. Dsstox_gsid_45891

33. Hept-a-myl Tropfen

34. Heptaminol Hcl

35. Ea-85

36. Sr-01000872644

37. Einecs 208-837-5

38. Unii-xb3rm40hir

39. R.p. 2831

40. Prestwick_257

41. 2-heptylamine, 6-hydroxy-6-methyl-, Hydrochloride

42. Heptaminolhydrochlorid

43. Hept-a-myl (tn)

44. Cas-543-15-7

45. 6-hydroxy-6-methyl-2-heptylamine Hydrochloride

46. Schembl317122

47. Spectrum1503218

48. Chembl2107282

49. Dtxsid9045891

50. Hms1568c11

51. Hms1922i21

52. Pharmakon1600-01503218

53. Hy-b1231

54. Tox21_111391

55. Ccg-39314

56. Heptaminol Hydrochloride [mi]

57. Mfcd00013015

58. Nsc758406

59. Akos024348835

60. Tox21_111391_1

61. Cs-4878

62. Nsc 758406

63. Heptaminol Hydrochloride [mart.]

64. Heptaminol Hydrochloride [who-dd]

65. Ncgc00095021-02

66. Ncgc00178043-05

67. Db-052535

68. Ft-0669129

69. D08038

70. Heptaminol Hydrochloride [ep Monograph]

71. 6-amino-2-methyl-heptan-2-ol Hydrochloride

72. Sr-01000872644-1

73. Sr-01000872644-2

74. Q27293761

75. 2-heptanol, 6-amino-2-methyl-, Hydrochloride (1:1)

76. Heptaminol Hydrochloride, European Pharmacopoeia (ep) Reference Standard

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₈H₂₀ClNO
Molecular Weight	181.70 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	181.1233420 g/mol
Monoisotopic Mass	181.1233420 g/mol
Topological Polar Surface Area	46.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	91.3
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2