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Also known as: 103639-04-9, Zofran, Zophren, Ondansetron hydrochloride hydrate, Gr 38032f, 99614-01-4
Molecular Formula
C18H24ClN3O3
Molecular Weight
365.9  g/mol
InChI Key
VRSLTNZJOUZKLX-UHFFFAOYSA-N
FDA UNII
NMH84OZK2B

CAS 103639-04-9
A competitive serotonin type 3 receptor antagonist. It is effective in the treatment of nausea and vomiting caused by cytotoxic chemotherapy drugs, including cisplatin, and has reported anxiolytic and neuroleptic properties.
1 2D Structure

CAS 103639-04-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one;dihydrate;hydrochloride
2.1.2 InChI
InChI=1S/C18H19N3O.ClH.2H2O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2;;;/h3-6,9-10,13H,7-8,11H2,1-2H3;1H;2*1H2
2.1.3 InChI Key
VRSLTNZJOUZKLX-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3C.O.O.Cl
2.2 Other Identifiers
2.2.1 UNII
NMH84OZK2B
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 4h-carbazol-4-one, 1,2,3,9-tetrahydro-9-methyl-3-((2-methyl-1h-imidazol-1-yl)methyl)-

2. Dihydrate, Ondansetron Monohydrochloride

3. Gr 38032f

4. Gr-38032f

5. Gr38032f

6. Hydrochloride, Ondansetron

7. Monohydrochloride Dihydrate, Ondansetron

8. Monohydrochloride, Ondansetron

9. Odt, Zofran

10. Ondansetron

11. Ondansetron Hydrochloride

12. Ondansetron Monohydrochloride

13. Ondansetron Monohydrochloride Dihydrate

14. Ondansetron, (+,-)-isomer

15. Ondansetron, (r)-isomer

16. Ondansetron, (s)-isomer

17. Sn 307

18. Sn-307

19. Sn307

20. Zofran

21. Zofran Odt

2.3.2 Depositor-Supplied Synonyms

1. 103639-04-9

2. Zofran

3. Zophren

4. Ondansetron Hydrochloride Hydrate

5. Gr 38032f

6. 99614-01-4

7. Sn 307

8. Ondansetron Hcl Dihydrate

9. Ondansetron Monohydrochloride

10. Gr-38032f

11. Sn-307

12. Odansetron Hydrochloride

13. Zofran Odt

14. Ondansetron (hydrochloride Dihydrate)

15. Nmh84ozk2b

16. Ondansetron (as Hydrochloride)

17. 9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1h-carbazol-4-one;dihydrate;hydrochloride

18. Gr 38032

19. Gr-c507/75

20. Unii-nmh84ozk2b

21. Setofilm

22. Setrodon

23. Zensana

24. Zofrene

25. Yatrox

26. Zofran Zydis

27. 9-methyl-3-((2-methyl-1h-imidazol-1-yl)methyl)-2,3-dihydro-1h-carbazol-4(9h)-one Hydrochloride Dihydrate

28. Mfcd00374371

29. Zofran (tn)

30. Ondansetron Hydrochloride [usan:usp:jan]

31. 9-methyl-3-((2-methyl-1h-imidazol-1-yl)methyl)-1,2,3,9-tetrahydro-4h-carbazol-4-one Hydrochloride Dihydrate

32. Ncgc00016968-01

33. Dsstox_cid_28783

34. Dsstox_rid_83052

35. Cas-103639-04-9

36. Dsstox_gsid_48857

37. (+-)-2,3-dihydro-9-methyl-3-((2-methylimidazol-1-yl)methyl)carbazol-4(1h)-one Monohydrochloride Dihydrate

38. Ondansetron Hydrochloride,(s)

39. Chebi:7774

40. Ondansetronhydrochloridedihydrate

41. Chembl3186492

42. Dtxsid9048857

43. Hy-b0002a

44. Rhb-102

45. Ondansetron (hydrochloride Hydrate)

46. Bcp21778

47. Tox21_113345

48. Ac-667

49. Gg-032

50. S4748

51. Ondansetron For Lc System Suitability

52. Akos015994673

53. Ondansetron For Tlc System Suitability

54. Bcp9001026

55. Ccg-268235

56. Cs-1716

57. Gr-c505/75

58. Ks-1091

59. To-2061

60. W39o049

61. Ondansetron Hydrochloride [usan]

62. Ondansetron Hydrochloride [mart.]

63. Ondansetron Hydrochloride [vandf]

64. 4h-carbazol-4-one, 1,2,3,9-tetrahydro-9-methyl-3-((2-methyl-1h-imidazol-1-yl)methyl)-, Monohydrochloride, (+-)-, Dihydrate

65. Ac-30904

66. Bo164178

67. Ondansetron Hydrochloride [usp-rs]

68. Ondansetron Hydrochloride Dihydrate- Bio-x

69. Db-040472

70. Ft-0631028

71. Ondansetron Hydrochloride Hydrate (jan/usp)

72. C71153

73. D00678

74. Ondansetron Hydrochloride [orange Book]

75. Ondansetron Hydrochloride Dihydrate [mi]

76. Ondansetron Hydrochloride Hydrate [jan]

77. Ondansetron Hydrochloride [usp Monograph]

78. Gr 38032;sn 307;nsc 665799

79. Ondansetron Hydrochloride Dihydrate [who-dd]

80. Q27284954

81. Ondansetron Hydrochloride Dihydrate [ep Monograph]

82. Ondansetron Hydrochloride Dihydrate, >=98% (hplc), Powder

83. Ondansetron For Lc System Suitability, European Pharmacopoeia (ep) Reference Standard

84. Ondansetron For Tlc System Suitability, European Pharmacopoeia (ep) Reference Standard

85. Ondansetron Hydrochloride Dihydrate, European Pharmacopoeia (ep) Reference Standard

86. Ondansetron Hydrochloride, Pharmaceutical Secondary Standard; Certified Reference Material

87. Ondansetron Hydrochloride, United States Pharmacopeia (usp) Reference Standard

88. (+/-)-2,3-dihydro-9-methyl-3-((2-methylimidazol-1-yl)methyl)carbazol-4(1h)-one Monohydrochloride Dihydrate

89. 1,2,3,9-tetrahydro-9-methyl-3-[(2-methyl-1h-imidazol-1-yl)methyl]-4h-carbazol-4-one Hydrochloride Dihydrate

90. 1,2,3,9-tetrahydro-9-methyl-3-[(2-methyl-1h-imidazole-1-yl)methyl]-4h-carbazol-4-one Hydrochloride Dihydrate

91. 4h-carbazol-4-one, 1,2,3,9-tetrahydro-9-methyl-3-((2-methyl-1h-imidazol-1-yl)methyl)-, Hydrochloride, Hydrate (1:1:2)

92. 4h-carbazol-4-one, 1,2,3,9-tetrahydro-9-methyl-3-((2-methyl-1h-imidazol-1-yl)methyl)-, Monohydrochloride, (+/-)-, Dihydrate

93. 4h-carbazol-4-one,1,2,3,9-tetrahydro-9-methyl-3-[(2-methyl-1h-imidazol-1-yl)methyl]-,monohydrochloride, Dihydrate

2.4 Create Date
2005-06-24
3 Chemical and Physical Properties
Molecular Weight 365.9 g/mol
Molecular Formula C18H24ClN3O3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass365.1506193 g/mol
Monoisotopic Mass365.1506193 g/mol
Topological Polar Surface Area41.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity440
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count4
4 Drug and Medication Information
4.1 Drug Information
1 of 1  
Drug NameZOFRAN
Active IngredientONDANSETRON HYDROCHLORIDE
CompanyNOVARTIS PHARMS CORP (Application Number: N020103); NOVARTIS PHARMS CORP (Application Number: N020605)

5 Pharmacology and Biochemistry
5.1 MeSH Pharmacological Classification

Antiemetics

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


Antipruritics

Agents, usually topical, that relieve itching (pruritus). (See all compounds classified as Antipruritics.)


Serotonin 5-HT3 Receptor Antagonists

Drugs that bind to but do not activate SEROTONIN 5-HT3 RECEPTORS, thereby blocking the actions of SEROTONIN or SEROTONIN 5-HT3 RECEPTOR AGONISTS. (See all compounds classified as Serotonin 5-HT3 Receptor Antagonists.)


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