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Adrenalone

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Chemistry

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Also known as: 62-13-5, Adrenalone hcl, Adrenone hydrochloride, Kephrine hydrochloride, 3',4'-dihydroxy-2-(methylamino)acetophenone hydrochloride, Epinephrine ketone hydrochloride

Molecular Formula

C₉H₁₂ClNO₃

Molecular Weight

217.65 g/mol

InChI Key

CSRRBDMYOUQTCO-UHFFFAOYSA-N

FDA UNII

NN82YWE2IC

1 2D Structure

Adrenalone

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(3,4-dihydroxyphenyl)-2-(methylamino)ethanone;hydrochloride

2.1.2 InChI

InChI=1S/C9H11NO3.ClH/c1-10-5-9(13)6-2-3-7(11)8(12)4-6;/h2-4,10-12H,5H2,1H3;1H

2.1.3 InChI Key

CSRRBDMYOUQTCO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CNCC(=O)C1=CC(=C(C=C1)O)O.Cl

2.2 Other Identifiers

2.2.1 UNII

NN82YWE2IC

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Adrenalone

2. Stryphnasal

2.3.2 Depositor-Supplied Synonyms

1. 62-13-5

2. Adrenalone Hcl

3. Adrenone Hydrochloride

4. Kephrine Hydrochloride

5. 3',4'-dihydroxy-2-(methylamino)acetophenone Hydrochloride

6. Epinephrine Ketone Hydrochloride

7. Adrenalone (hydrochloride)

8. 1-(3,4-dihydroxyphenyl)-2-(methylamino)ethanone Hydrochloride

9. Nn82ywe2ic

10. 1-(3,4-dihydroxyphenyl)-2-(methylamino)ethan-1-one Hydrochloride

11. Ethanone, 1-(3,4-dihydroxyphenyl)-2-(methylamino)-, Hydrochloride

12. Adrenalone, Hydrochloride

13. Stryphnonasal

14. 1-(3,4-dihydroxy-phenyl)-2-methylamino-ethanone Hydrochloride

15. Nsc-9407

16. 1-(3,4-dihydroxyphenyl)-2-(methylamino)ethanone;hydrochloride

17. Adrenalonium Chloratum

18. Stryphnasal

19. Adrenone Hcl

20. 1-(3,4-dihydroxyphenyl)-2-(methylamino)ethanone Hydrochloride (adrenalone Hydrochloride)

21. Nsc 9407

22. Einecs 200-525-7

23. Unii-nn82ywe2ic

24. Adrenolone Hydrochloride

25. Stryphnasal (tn)

26. Adrenalonehydrochloride

27. Alpha-methylamino-3',4'-dihydroxyacetophenone Hydrochloride

28. Schembl6662605

29. Dtxsid30211026

30. Nsc9407

31. Wln: Qr Bq Dv1m1 &gh

32. (2-(3,4-dihydroxyphenyl)-2-oxoethyl)methylammonium Chloride

33. 1-(3,4-dihydroxyphenyl)-2-(methylamino)ethanone,hydrochloride

34. Pharmakon1600-01506124

35. Acetophenone, 3',4'-dihydroxy-2-(methylamino)-, Hydrochloride

36. Hy-b1308

37. Adrenalone Hydrochloride [mi]

38. Nsc760356

39. S3185

40. Akos007930211

41. Ccg-213617

42. Cs-4906

43. Nsc-760356

44. Sb37953

45. Adrenalone Hydrochloride [mart.]

46. Adrenalone Hydrochloride [usp-rs]

47. Adrenalone Hydrochloride [who-dd]

48. Ac-32691

49. As-71891

50. Db-054071

51. A1234

52. Ft-0621929

53. Sw220261-1

54. D07560

55. D88399

56. A833601

57. W-105045

58. Q27284967

59. 3',4'-dihydroxy-2-methylaminoacetophenone Hydrochloride

60. Acetophenone,4'-dihydroxy-2-(methylamino)-, Hydrochloride

61. Ethanone,4-dihydroxyphenyl)-2-(methylamino)-, Hydrochloride

62. .alpha.-methylamino-3',4'-dihydroxyacetophenone Hydrochloride

63. 1-(3,4-dihydroxyphenyl)-2-(methylamino)-ethanone Hydrochloride

64. 1-(3,4-dihydroxyphenyl)-2-(methylamino)-ethanonhydrochloride

65. 3'4'-dihydroxy-2-(methylamino)acetophenone Hydrochloride

66. Ethanone, 1-(3,4-dihydroxyphenyl)-2-(methylamino)-, Hydrochloride (1:1)

67. Adrenalone Hydrochloride, United States Pharmacopeia (usp) Reference Standard

68. 3',4'-dihydroxy-2-(methylamino)acetophenone Hydrochloride, >=98.0% (calc. Based On Dry Substance, At)

2.4 Create Date

2005-08-01

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₂ClNO₃
Molecular Weight	217.65 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	217.0505709 g/mol
Monoisotopic Mass	217.0505709 g/mol
Topological Polar Surface Area	69.6 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	184
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

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Vasoconstrictor Agents

Drugs used to cause constriction of the blood vessels. (See all compounds classified as Vasoconstrictor Agents.)

Hemostatics

Agents acting to arrest the flow of blood. Absorbable hemostatics arrest bleeding either by the formation of an artificial clot or by providing a mechanical matrix that facilitates clotting when applied directly to the bleeding surface. These agents function more at the capillary level and are not effective at stemming arterial or venous bleeding under any significant intravascular pressure. (See all compounds classified as Hemostatics.)

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