CAS 103639-04-9

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Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

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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

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 Formula	C₁₈H₂₄ClN₃O₃
Molecular Weight	365.9 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	365.1506193 g/mol
Monoisotopic Mass	365.1506193 g/mol
Topological Polar Surface Area	41.8 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	440
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	4

4 Drug and Medication Information

4.1 Drug Information

1 of 1
Drug Name	ZOFRAN
Active Ingredient	ONDANSETRON HYDROCHLORIDE
Company	NOVARTIS 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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