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2D Structure
Also known as: 22503-72-6, Idra-21, Idra 21, 7-chloro-3-methyl-3,4-dihydro-2h-benzo[e][1,2,4]thiadiazine 1,1-dioxide, 7-chloro-3,4-dihydro-3-methyl-2h-1,2,4-benzothiadiazine 1,1-dioxide, 689uw7pt68
Molecular Formula
C8H9ClN2O2S
Molecular Weight
232.69  g/mol
InChI Key
VZRNTCHTJRLTMU-UHFFFAOYSA-N
FDA UNII
689UW7PT68

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
7-chloro-3-methyl-3,4-dihydro-2H-16,2,4-benzothiadiazine 1,1-dioxide
2.1.2 InChI
InChI=1S/C8H9ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-5,10-11H,1H3
2.1.3 InChI Key
VZRNTCHTJRLTMU-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1NC2=C(C=C(C=C2)Cl)S(=O)(=O)N1
2.2 Other Identifiers
2.2.1 UNII
689UW7PT68
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 7-chloro-3-methyl-3,4-dihydro-2h-1,2,4-benzothiadiazine-s,s-dioxide

2. Idra 21

3. Idra-21

2.3.2 Depositor-Supplied Synonyms

1. 22503-72-6

2. Idra-21

3. Idra 21

4. 7-chloro-3-methyl-3,4-dihydro-2h-benzo[e][1,2,4]thiadiazine 1,1-dioxide

5. 7-chloro-3,4-dihydro-3-methyl-2h-1,2,4-benzothiadiazine 1,1-dioxide

6. 689uw7pt68

7. 163936-78-5

8. 7-chloro-3-methyl-3,4-dihydro-2h-1,2,4-benzothiadiazine S,s-dioxide

9. 7-chloro-3-methyl-3-4-dihydro-2h-1,2,4 Benzothiadiazine S,s-dioxide

10. 2h-1,2,4-benzothiadiazine, 7-chloro-3,4-dihydro-3-methyl-, 1,1-dioxide

11. 7-chloro-3-methyl-3,4-dihydro-2h-benzo(e)(1,2,4)thiadiazine 1,1-dioxide

12. (+)-idra-21

13. (-)-idra-21

14. Biomol-nt_000225

15. Idra21

16. Chembl77862

17. Schembl195328

18. Unii-689uw7pt68

19. Bpbio1_001088

20. Gtpl4219

21. Dtxsid70936887

22. Ex-a737

23. Chebi:111162

24. Hms3267d13

25. Hms3412o19

26. Hms3676o19

27. Bcp19065

28. Xaa50372

29. 7-chloro-3-methyl-3,4-dihydro-2h-1,2,4-benzothiadiazine-s,s-dioxide

30. Hb0334

31. Mfcd00270874

32. S2434

33. 2h-1,2,4-benzothiadiazine,7-chloro-3,4-dihydro-3-methyl-, 1,1-dioxide

34. Akos024456473

35. Idra 21, >=98%

36. 2h-1,2,4-benzothiadiazine, 7-chloro-3,4-dihydro-3-methyl-, 1,1-dioxide, (+)-

37. 2h-1,2,4-benzothiadiazine, 7-chloro-3,4-dihydro-3-methyl-, 1,1-dioxide, (-)-

38. Ncgc00025050-02

39. 163936-79-6

40. Ds-11824

41. Hy-101528

42. Cs-0021632

43. Ft-0700269

44. A878525

45. Sr-01000597374

46. J-014742

47. Q5970086

48. Sr-01000597374-1

49. Brd-a14344385-001-01-6

50. Brd-a14344385-001-02-4

51. 7-chloro-3-methyl-3,4-dihydro-2h-1,2,4-benzothiadiazine

52. S 18986;s18986;idra-21;idra21;idra 21;ampakine

53. 7-chloro-3-methyl-3,4-dihydro-2h-1$l^{6},2,4-benzothiadiazine-1,1-dione

54. 2h-1,2,4-benzothiadiazine,7-chloro-3,4-dihydro-3-methyl-, 1,1-dioxide; Idra 21

55. 7-chloro-3-methyl-3,4-dihydro-1lambda~6~,2,4-benzothiadiazine-1,1(2h)-dione

56. 7-chloro-3-methyl-3,4-dihydro-2h-1lambda6,2,4-benzothiadiazine 1,1-dioxide

2.4 Create Date
2005-03-25
3 Chemical and Physical Properties
Molecular Weight 232.69 g/mol
Molecular Formula C8H9ClN2O2S
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area66.6
Heavy Atom Count14
Formal Charge0
Complexity314
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1