MolPort-002-070-500

Synopsis, Chemistry

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Also known as: 1084-65-7, Arresten, Fontiliz, 6-methylthiochroman-7-sulfonamide 1,1-dioxide, Sd 17102, 6-methyl-1,1-dioxo-3,4-dihydro-2h-thiochromene-7-sulfonamide

Molecular Formula

C₁₀H₁₃NO₄S₂

Molecular Weight

275.3 g/mol

InChI Key

FNQQBFNIYODEMB-UHFFFAOYSA-N

FDA UNII

I7EKN1924Q

Meticrane is a sulphonamide-derivative with thiazide-like diuretic activity. Meticrane acts in a similar manner as the thiazide diuretics.

1 2D Structure

MolPort-002-070-500

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

6-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-7-sulfonamide

2.1.2 InChI

InChI=1S/C10H13NO4S2/c1-7-5-8-3-2-4-16(12,13)10(8)6-9(7)17(11,14)15/h5-6H,2-4H2,1H3,(H2,11,14,15)

2.1.3 InChI Key

FNQQBFNIYODEMB-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC2=C(C=C1S(=O)(=O)N)S(=O)(=O)CCC2

2.2 Other Identifiers

2.2.1 UNII

I7EKN1924Q

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 1084-65-7

2. Arresten

3. Fontiliz

4. 6-methylthiochroman-7-sulfonamide 1,1-dioxide

5. Sd 17102

6. 6-methyl-1,1-dioxo-3,4-dihydro-2h-thiochromene-7-sulfonamide

7. Nsc-759309

8. 2h-1-benzothiopyran-7-sulfonamide, 3,4-dihydro-6-methyl-, 1,1-dioxide

9. I7ekn1924q

10. Ncgc00016561-01

11. Sd-17102

12. Cas-1084-65-7

13. Meticranum [inn-latin]

14. 6-methylthiochromane-7-sulfonamide 1,1-dioxide

15. Dsstox_cid_25346

16. Dsstox_rid_80814

17. Dsstox_gsid_45346

18. Meticranum

19. Meticran

20. Meticrano

21. Meticrano [inn-spanish]

22. 2h-1-benzothiopyran-7-sulfonamide, 3,4-dihydro-6-methyl-, 1,1-dioxide (9ci)

23. 6-methylthiochroman-7-sulphonamide 1,1-dioxide;6-methylthiochroman-7-sulfonamide 1,1-dioxide

24. Meticrane [inn:dcf:jan]

25. Sr-01000838874

26. Einecs 214-112-4

27. E-103-e

28. Unii-i7ekn1924q

29. 6-methyl-7-sulfamido-thiochroman-1,1-dioxide

30. Arresten (tn)

31. Prestwick_881

32. Thiochroman-7-sulfonamide, 6-methyl-, 1,1-dioxide

33. Meticrane [inn]

34. Meticrane [jan]

35. Meticrane [mi]

36. Prestwick0_000011

37. Prestwick1_000011

38. Prestwick2_000011

39. Prestwick3_000011

40. 6-methyl-3,4-dihydro-2h-1-benzothiopyran-7-sulfonamide 1,1-dioxide

41. Meticrane (jp17/inn)

42. Meticrane [mart.]

43. Meticrane [who-dd]

44. Schembl49070

45. Bspbio_000041

46. Mls002154170

47. Meticrane, Analytical Standard

48. Spbio_001962

49. Bpbio1_000047

50. Zinc1718

51. Chembl1318341

52. Dtxsid9045346

53. Chebi:31839

54. Hms1568c03

55. Hms2095c03

56. Hms2235d06

57. Hms3371d22

58. Hms3712c03

59. Pharmakon1600-01506077

60. Baa08465

61. Hy-b0908

62. Tox21 110495

63. Tox21_110495

64. Mfcd00079454

65. Nsc759309

66. S4339

67. 6-methyl-1-thia-1,2,3,4-tetrahydronaphthalene-7-sulfonamide 1,1-dioxide

68. Akos016014038

69. Tox21_110495_1

70. Ccg-214046

71. Db13284

72. Nsc 759309

73. Ncgc00016561-02

74. Ncgc00016561-05

75. Bs-14410

76. Smr001233468

77. Sbi-0207038.p001

78. Ft-0725174

79. Sw197003-3

80. D01605

81. E75872

82. J-002149

83. Q6824077

84. Sr-01000838874-2

85. Sr-01000838874-3

86. Brd-k58265391-001-03-6

87. Brd-k58265391-001-06-9

88. 6-methyl-3,4-dihydro-2h-thiochromene-7-sulfonamide 1,1-dioxide

89. 3,4-dihydro-6-methyl-2h-1-benzothiopyran-7-sulfonamide 1,1-dioxide

2.4 Create Date

2005-03-25

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₃NO₄S₂
Molecular Weight	275.3 g/mol
XLogP3	0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	275.02860024 g/mol
Monoisotopic Mass	275.02860024 g/mol
Topological Polar Surface Area	111 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	485
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	1