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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: Altizide, 5588-16-9, (-)-altizide, Altizide, (+)-, (+)-altizide, Althiazide [usan]

Molecular Formula

C₁₁H₁₄ClN₃O₄S₃

Molecular Weight

383.9 g/mol

InChI Key

VGLGVJVUHYTIIU-UHFFFAOYSA-N

FDA UNII

D9KLS88BLV

Althiazide is an agent, also known as altizide, belonging to the class of thiazide diuretics with antihypertensive activity.

1 2D Structure

Althiazide

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

6-chloro-1,1-dioxo-3-(prop-2-enylsulfanylmethyl)-3,4-dihydro-2H-16,2,4-benzothiadiazine-7-sulfonamide

2.1.2 InChI

InChI=1S/C11H14ClN3O4S3/c1-2-3-20-6-11-14-8-4-7(12)9(21(13,16)17)5-10(8)22(18,19)15-11/h2,4-5,11,14-15H,1,3,6H2,(H2,13,16,17)

2.1.3 InChI Key

VGLGVJVUHYTIIU-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C=CCSCC1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl

2.2 Other Identifiers

2.2.1 UNII

D9KLS88BLV

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 3-((allylthio)methyl)-6-chloro-3,4-dihydro-2h-1,2,4-benzothiadiazine-7-sulfonamide-1,1-dioxide

2. Altizide

3. Altozide

2.3.2 Depositor-Supplied Synonyms

1. Altizide

2. 5588-16-9

3. (-)-altizide

4. Altizide, (+)-

5. (+)-altizide

6. Althiazide [usan]

7. Altizide, (-)-

8. 6-chloro-3,4-dihydro-3-[(2-propenylthio)methyl]-2h-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide

9. Altizide [inn]

10. 3-((allylthio)methyl)-6-chloro-3,4-dihydro-2h-benzo[e][1,2,4]thiadiazine-7-sulfonamide 1,1-dioxide

11. D9kls88blv

12. 133562-97-7

13. 133585-76-9

14. Nsc-757786

15. Gi8cb72b0d

16. Ji3zo158in

17. 2h-1,2,4-benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-3-((2-propen-1-ylthio)methyl)-, 1,1-dioxide, (+)-

18. 2h-1,2,4-benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-3-((2-propen-1-ylthio)methyl)-, 1,1-dioxide, (-)-

19. P-1779

20. Altizide (inn)

21. Althiazide (usan)

22. Ncgc00094855-01

23. Altizida

24. Dsstox_cid_25857

25. Dsstox_rid_81178

26. Dsstox_gsid_45857

27. 2h-1,2,4-benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-3-((2-propenylthio)methyl)-, 1,1-dioxide

28. 3-((allylthio)methyl)-6-chloro-3,4-dihydro-2h-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide

29. 3-[(allylthio)methyl]-6-chloro-3,4-dihydro-2h-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide

30. Altizidum

31. Altizidum [inn-latin]

32. Sr-05000001753

33. Altizida [inn-spanish]

34. Unii-d9kls88blv

35. Unii-gi8cb72b0d

36. Unii-ji3zo158in

37. Althiazide-[d5]

38. Prestwick_43

39. 6-chloro-1,1-dioxo-3-(prop-2-enylsulfanylmethyl)-3,4-dihydro-2h-1lambda6,2,4-benzothiadiazine-7-sulfonamide

40. Cas-5588-16-9

41. Einecs 226-994-8

42. Cb 8093

43. Spectrum_001104

44. Starbld0016521

45. Specplus_000833

46. Prestwick0_000721

47. Prestwick1_000721

48. Prestwick2_000721

49. Prestwick3_000721

50. Spectrum2_001367

51. Spectrum3_000902

52. Spectrum4_000999

53. Spectrum5_001725

54. Altizide [mart.]

55. Altizide [who-dd]

56. P 1779

57. Bspbio_000642

58. Kbiogr_001437

59. Kbioss_001584

60. Mls002153973

61. Divk1c_001031

62. Divk1c_006929

63. Schembl124525

64. Spectrum1500804

65. Spbio_001294

66. Spbio_002581

67. Altizide [ep Impurity]

68. Bpbio1_000708

69. Chembl599870

70. Altizide [ep Monograph]

71. Dtxsid3045857

72. Chebi:91768

73. Hms503o03

74. Kbio1_001031

75. Kbio1_001873

76. Kbio2_001584

77. Kbio2_004152

78. Kbio2_006720

79. Kbio3_001844

80. Ninds_001031

81. Hms1570a04

82. Hms1921i12

83. Hms2092k18

84. Hms2097a04

85. Hms2233o21

86. Hms3373k04

87. Hms3714a04

88. Pharmakon1600-01500804

89. Hy-b1254

90. Tox21_111347

91. Ccg-38982

92. Nsc757786

93. Akos027381757

94. Tox21_111347_1

95. Nsc 757786

96. 3-allylthiomethyl-6-chlor-3,4-dihydro-2h-1,2,4-benzothiadiazin-7-sulfonamid 1,1-dioxid

97. Idi1_001031

98. Smp1_000012

99. Ncgc00094855-02

100. Ncgc00094855-03

101. Ncgc00094855-06

102. 2h-1,2,4-benzothiadiazine-7-sulfonamide,6-chloro-3,4-dihydro-3-[(2-propen-1-ylthio)methyl]-, 1,1-dioxide

103. 6-chloro-3,4-dihydro-3-[(2-propen-1-ylthio)methyl]-2h-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide

104. Smr001233310

105. Sbi-0052594.p002

106. Db-052814

107. Ab00053099

108. Cs-0013046

109. Ft-0635778

110. D02838

111. Ab00053099_08

112. Sr-05000001753-1

113. Sr-05000001753-3

114. Brd-a56675431-001-04-0

115. Brd-a56675431-001-07-3

116. Altizide, European Pharmacopoeia (ep) Reference Standard

117. 6-chloro-3,4-dihydro-3-((2-propenylthio)methyl)-2h-1,2,4-benzothiadiazine-7-sulfonamide

118. 2h-1,2,4-benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-3-[(2-propen-1-ylthio)methyl]-, 1,1-dioxide

119. 6-chloro-1,1-dioxo-3-[(prop-2-enylthio)methyl]-3,4-dihydro-2h-1$l;{6},2,4-benzothiadiazine-7-sulfonamide

120. 6-chloro-3,4-dihydro-3-[(2-propenylthio)methyl]-2h-1,2,4-benzothiadiazine-7-sulfonamide1,1-dioxide

2.4 Create Date

2005-03-25

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₄ClN₃O₄S₃
Molecular Weight	383.9 g/mol
XLogP3	0.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	382.9834972 g/mol
Monoisotopic Mass	382.9834972 g/mol
Topological Polar Surface Area	160 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	614
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	1

4 Pharmacology and Biochemistry

4.1 ATC Code

C03EA04

S76 | LUXPHARMA | Pharmaceuticals Marketed in Luxembourg | Pharmaceuticals marketed in Luxembourg, as published by d'Gesondheetskeess (CNS, la caisse nationale de sante, www.cns.lu), mapped by name to structures using CompTox by R. Singh et al. (in prep.). List downloaded from https://cns.public.lu/en/legislations/textes-coordonnes/liste-med-comm.html. Dataset DOI:10.5281/zenodo.4587355

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