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Technical details about Scopolamine Hydrobromide, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
Also known as: 114-49-8, Scopolamine hbr, Hyoscine hydrobromide, Scopos, (-)-scopolamine hydrobromide, Scopolamine (hydrobromide)
Molecular Formula
C17H22BrNO4
Molecular Weight
384.3  g/mol
InChI Key
WTGQALLALWYDJH-WYHSTMEOSA-N
FDA UNII
R3K67DRL3J

An alkaloid from SOLANACEAE, especially DATURA and SCOPOLIA. Scopolamine and its quaternary derivatives act as antimuscarinics like ATROPINE, but may have more central nervous system effects. Its many uses include an anesthetic premedication, the treatment of URINARY INCONTINENCE and MOTION SICKNESS, an antispasmodic, and a mydriatic and cycloplegic.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[(1R,2R,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate;hydrobromide
2.1.2 InChI
InChI=1S/C17H21NO4.BrH/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10;/h2-6,11-16,19H,7-9H2,1H3;1H/t11?,12-,13-,14+,15-,16+;/m1./s1
2.1.3 InChI Key
WTGQALLALWYDJH-WYHSTMEOSA-N
2.1.4 Canonical SMILES
CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4.Br
2.1.5 Isomeric SMILES
CN1[C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4.Br
2.2 Other Identifiers
2.2.1 UNII
R3K67DRL3J
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Boro Scopol

2. Boro-scopol

3. Hyoscine

4. Isopto Hyoscine

5. Kwells

6. Scoburen

7. Scopace

8. Scopoderm Tts

9. Scopolamine

10. Scopolamine Cooper

11. Transderm Scop

12. Transderm V

13. Transderm-v

14. Travacalm Ho

15. Vorigeno

2.3.2 Depositor-Supplied Synonyms

1. 114-49-8

2. Scopolamine Hbr

3. Hyoscine Hydrobromide

4. Scopos

5. (-)-scopolamine Hydrobromide

6. Scopolamine (hydrobromide)

7. Beldavrin

8. Scopamin

9. Tranaxine

10. Hyosol

11. Hyoscine Bromide

12. (-)-hyoscine Hydrobromide

13. Scopolaminium Bromide

14. Scopolammonium Bromide

15. Euscopol

16. Isoscopil

17. Hysco

18. Kwells

19. (-)-scopolamine Bromide

20. Scopolamine Bromide

21. Scopolamine Hydrobromide Anhydrous

22. R3k67drl3j

23. L-hyoscine Hydrobromide

24. Sereen

25. Mls000069527

26. L-scopolamine-hydrobromide

27. Chebi:61271

28. Smr000058594

29. Dsstox_cid_12029

30. Dsstox_rid_78902

31. Dsstox_gsid_32029

32. Cas-114-49-8

33. Unii-r3k67drl3j

34. Einecs 204-050-6

35. Nsc 61806

36. Nsc-61806

37. Opera_id_496

38. Ec 204-050-6

39. Hyoscine Bromide (anhydrous)

40. Schembl40627

41. Scopolamine Bromide (anhydrous)

42. Chembl3185877

43. Dtxsid0032029

44. Hy-n0296a

45. Scopolaminium Bromide (anhydrous)

46. Regid_for_cid_6603108

47. Scopolammonium Bromide (anhydrous)

48. 672-21-9

49. Scopolamine Hydrobromide (anhydrous)

50. Tox21_110035

51. Tox21_302019

52. (-)-scopolamine Bromide (anhydrous)

53. S2508

54. Scopolamine Hydrobromide [mi]

55. (-)-hyoscine Hydrobromide (anhydrous)

56. Akos015965267

57. Hyoscine Hydrobromide [who-dd]

58. Tox21_110035_1

59. Ac-3389

60. Ccg-268451

61. Cs-2000

62. 1alphah,5alphah-tropan-3-alpha-ol, 5beta,7beta-epoxy-, (-)-tropate (ester), Hydrobromide

63. Ncgc00013722-01

64. Ncgc00024357-07

65. Ncgc00255166-01

66. (-)-scopolamine Hydrobromide (anhydrous)

67. As-35324

68. N2570

69. Sw199343-2

70. 114s498

71. A935283

72. Sr-01000597758

73. Sr-01000597758-1

74. W-108599

75. Q27130957

76. (-)-scopolamine Hydrobromide;hyoscine Hydrobromide;scopine Hydrobromide

77. 1alphah,5alphah-tropan-3alpha-ol, 6beta,7beta-epoxy-, (-)-tropate (ester), Hydrobromide

78. (?,s)-?-(hydroxymethyl)benzeneacetic Acid (1?,2?,4?,5?,7?)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl Ester Hydrobromide

79. (1r,2r,4s,5s,7s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0(2,4)]non-7-yl (2s)-3-hydroxy-2-phenylpropanoate Hydrobromide

80. (1r,2r,4s,5s,7s,9s)-7-{[(2s)-3-hydroxy-2-phenylpropanoyl]oxy}-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.0(2,4)]nonane Bromide

81. 1-alpha-h,5-alpha-h-tropan-3-alpha-ol, 6-beta,7-beta-epoxy-, (-)-tropate (ester), Hydrobromide

82. 6.beta.,7.beta.-epoxy-1.alpha.h,5.alpha.h-tropan-3.alpha.-ol (-)-tropate (ester) Hydrobromide

83. Benzeneacetic Acid, .alpha.-(hydroxymethyl)-, (1.alpha.,2.beta.,4.beta.,5.alpha.,7.beta.)-9-methyl-3-oxa-9-azatricyclo3.3.1.02,4non-7-yl Ester, (.alpha.s)- Hydrobromide

84. Benzeneacetic Acid, Alpha-(hydroxymethyl)-, (1alpha,2beta,4beta,5alpha,7beta)-9-methyl-3-oxa-9-azatricyclo(3.3.1.02,4)non-7-yl Ester, Hydrobromide (1:1), (alphas)-

85. Benzeneacetic Acid, Alpha-(hydroxymethyl)-, (1alpha,2beta,4beta,5alpha,7beta)-9-methyl-3-oxa-9-azatricyclo(3.3.1.02,4)non-7-yl Ester, Hydrobromide, (alphas)-

86. Benzeneacetic Acid, Alpha-(hydroxymethyl)-, 9-methyl-3-oxa-9-azatricyclo(3.3.1.02,4)non-7-yl Ester, Hydrobromide, (7(s)-(1alpha,2beta,4beta,5alpha,7beta))-

2.4 Create Date
2006-05-25
3 Chemical and Physical Properties
Molecular Weight 384.3 g/mol
Molecular Formula C17H22BrNO4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass383.07322 g/mol
Monoisotopic Mass383.07322 g/mol
Topological Polar Surface Area62.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity418
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Adjuvants, Anesthesia

Agents that are administered in association with anesthetics to increase effectiveness, improve delivery, or decrease required dosage. (See all compounds classified as Adjuvants, Anesthesia.)


Antiemetics

Drugs used to prevent NAUSEA or VOMITING. (See all compounds classified as Antiemetics.)


Cholinergic Antagonists

Drugs that bind to but do not activate CHOLINERGIC RECEPTORS, thereby blocking the actions of ACETYLCHOLINE or cholinergic agonists. (See all compounds classified as Cholinergic Antagonists.)


Muscarinic Antagonists

Drugs that bind to but do not activate MUSCARINIC RECEPTORS, thereby blocking the actions of endogenous ACETYLCHOLINE or exogenous agonists. Muscarinic antagonists have widespread effects including actions on the iris and ciliary muscle of the eye, the heart and blood vessels, secretions of the respiratory tract, GI system, and salivary glands, GI motility, urinary bladder tone, and the central nervous system. (See all compounds classified as Muscarinic Antagonists.)


Mydriatics

Agents that dilate the pupil. They may be either sympathomimetics or parasympatholytics. (See all compounds classified as Mydriatics.)