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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

Ampakine

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 Formula	C₈H₉ClN₂O₂S
Molecular Weight	232.69 g/mol
XLogP3	1.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	66.6
Heavy Atom Count	14
Formal Charge	0
Complexity	314
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