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Overview of CAS 71675-87-1

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4CH-017807
PharmaCompass
4CH-017807
Also known as: 71675-87-1, 4-amino-5-(ethylsulfonyl)-2-methoxybenzoic acid, 2-methoxy-4-amino-5-ethylsulfonylbenzoic acid, 4-amino-5-(ethylsulphonyl)-o-anisic acid, 4-amino-5-(ethanesulfonyl)-2-methoxybenzoic acid, Ak-36200
Molecular Formula
C10H13NO5S
Molecular Weight
259.276  g/mol
InChI Key
OJVNCXHGGYYOPH-UHFFFAOYSA-N

1 2D Structure

4CH-017807

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-amino-5-ethylsulfonyl-2-methoxybenzoic acid
2.1.2 InChI
InChI=1S/C10H13NO5S/c1-3-17(14,15)9-4-6(10(12)13)8(16-2)5-7(9)11/h4-5H,3,11H2,1-2H3,(H,12,13)
2.1.3 InChI Key
OJVNCXHGGYYOPH-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCS(=O)(=O)C1=C(C=C(C(=C1)C(=O)O)OC)N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 71675-87-1

2. 4-amino-5-(ethylsulfonyl)-2-methoxybenzoic Acid

3. 2-methoxy-4-amino-5-ethylsulfonylbenzoic Acid

4. 4-amino-5-(ethylsulphonyl)-o-anisic Acid

5. 4-amino-5-(ethanesulfonyl)-2-methoxybenzoic Acid

6. Ak-36200

7. 4-amino-5-(ethylsulfonyl)-2-methoxy Benzoic Acid

8. A1-01727

9. Benzoic Acid, 4-amino-5-(ethylsulfonyl)-2-methoxy-

10. W-104510

11. 2-methoxy-4-amino-5-ethylsulfonyl Benzoic Acid

12. Einecs 275-833-8

13. Pubchem18225

14. 4-amino-5-ethylsulfonyl-2-methoxybenzoicacid

15. Ac1mi66v

16. Schembl3313702

17. Ctk5d4842

18. Molport-002-461-864

19. Ojvncxhggyyoph-uhfffaoysa-n

20. Act00963

21. Albb-006392

22. Cs-m1894

23. Ks-00000ne8

24. Zinc2540786

25. Zx-an006139

26. Anw-47425

27. Ca-277

28. Ca0094

29. Mfcd04973619

30. Rw1210

31. Sbb048188

32. Stk503889

33. Akos005171595

34. Ac-6121

35. Gs-3369

36. Ls11429

37. Mcule-9962553521

38. Rl04736

39. Aj-39134

40. An-10343

41. Br-36200

42. Cc-17831

43. Kb-68923

44. Or006947

45. Or155436

46. P095

47. Sc-12706

48. Ab0016822

49. Ab1009635

50. Ax8008246

51. Db-006646

52. St2405536

53. Tr-023542

54. 4ch-017807

55. Ft-0081404

56. Ft-0641361

57. Tl80090700

58. 2-methoxy-4-amino-5-ethylsulphonylbenzoic Acid

59. 4-amino-5-(ethylsulfonyl)-2-methoxybenzoicacid

60. 4-amino-5-ethylsulfonyl-2-methoxy-benzoic Acid

61. S-5647

62. 2-methoxy-4-amino-5-ethylsulphonyl Benzoic Acid

63. 4-azanyl-5-ethylsulfonyl-2-methoxy-benzoic Acid

64. 4-amino-5-(ethylsulphonyl)-2-methoxybenzoic Acid

65. 675a871

66. A837283

67. C-16158

68. Benzoic Acid,4-amino-5-(ethylsulfonyl)-2-methoxy-

69. Amisulpride Impurity (2-methoxy-4-amino-5-ethylsulfonylbenzoic Acid)

2.3 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 259.276 g/mol
Molecular Formula C10H13NO5S
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass259.051 g/mol
Monoisotopic Mass259.051 g/mol
Topological Polar Surface Area115 A^2
Heavy Atom Count17
Formal Charge0
Complexity375
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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