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2D Structure
Also known as: 63547-24-0, 2-(benzhydrylsulfinyl)acetic acid, 2-benzhydrylsulfinylacetic acid, 2-benzhydrylsulphinylacetic acid, Modafinil carboxylate, Crl 40467
Molecular Formula
C15H14O3S
Molecular Weight
274.3  g/mol
InChI Key
QARQPIWTMBRJFX-UHFFFAOYSA-N
FDA UNII
54N37HN7N4

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-benzhydrylsulfinylacetic acid
2.1.2 InChI
InChI=1S/C15H14O3S/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H,16,17)
2.1.3 InChI Key
QARQPIWTMBRJFX-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)CC(=O)O
2.2 Other Identifiers
2.2.1 UNII
54N37HN7N4
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Benzyhydrylsulfinylacetic Acid

2. Crl 40467

3. Crl-40467

2.3.2 Depositor-Supplied Synonyms

1. 63547-24-0

2. 2-(benzhydrylsulfinyl)acetic Acid

3. 2-benzhydrylsulfinylacetic Acid

4. 2-benzhydrylsulphinylacetic Acid

5. Modafinil Carboxylate

6. Crl 40467

7. Crl-40467

8. Acetic Acid, [(diphenylmethyl)sulfinyl]-

9. Benzhydrylsulfinylacetic Acid

10. 2-[(diphenylmethyl)sulfinyl]acetic Acid

11. Modafinil Related Compound A

12. (benzhydrylsulfinyl)acetic Acid

13. 54n37hn7n4

14. Armodafinic Acid

15. Modafinic Acid

16. Benzyhydrylsulfinylacetic Acid

17. Acetic Acid, ((diphenylmethyl)sulfinyl)-

18. [(rs)-(diphenylmethyl)sulfinyl]acetic Acid

19. 2-((diphenylmethyl)sulfinyl)acetic Acid

20. ((rs)-(diphenylmethyl)sulfinyl)acetic Acid

21. 464k6cg4cc

22. 461846kjws

23. Modafinil-acid

24. Unii-461846kjws

25. Unii-54n37hn7n4

26. Modavigil?,provigil

27. Modafinilic Acid

28. Acetic Acid, 2-((r)-(diphenylmethyl)sulfinyl)-

29. (s)-(+)-modafinil Acid

30. Unii-464k6cg4cc

31. Benzhydrylsulphinylacetic Acid

32. 2-benzhydrylsulinylacetic Acid

33. Schembl900143

34. (+/-)-modafinic Acid

35. 2-(benzhydrylsulfinyl)aceticacid

36. Chembl3544654

37. (-)-benzhydrylsulfinylacetic Acid

38. 2-benzhydrylsulphinyl Acetic Acid

39. Dtxsid60979768

40. Chebi:178165

41. (-)-benzhydrylsulphinylacetic Acid

42. 2-(benzhydryl Sulfinyl)acetic Acid

43. (-)-benzhydrylsulfinyl Acetic Acid

44. (diphenylmethanesulfinyl)acetic Acid

45. 2-diphenylmethanesulfinylacetic Acid

46. (+/-)-benzhydrylsulfinylacetic Acid

47. Mfcd09037258

48. (+/-)-benzhydrylsulfinyl Acetic Acid

49. Akos004118313

50. Af-0026

51. Ac-26312

52. Modafinil Impurity A [ep Impurity]

53. Db-013600

54. Db-049849

55. Cs-0156524

56. Modafinil Related Compound A [usp-rs]

57. F15200

58. A802488

59. A914726

60. Acetic Acid, 2-((diphenylmethyl)sulfinyl)-

61. Q20707039

62. 2-[(r)-benzhydrylsulfinyl]acetic Acid;(r)-(-)-modafinic Acid

63. 2-[[2-(aminocarbonyl)-5-ethoxyphenyl]thio]aceticacid

64. Modafinil Acid, 1.0 Mg/ml In Acetonitrile, Ampule Of 1 Ml, Certified Reference Material

65. Modafinil Related Compound A, United States Pharmacopeia (usp) Reference Standard

2.4 Create Date
2005-08-09
3 Chemical and Physical Properties
Molecular Weight 274.3 g/mol
Molecular Formula C15H14O3S
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass274.06636548 g/mol
Monoisotopic Mass274.06636548 g/mol
Topological Polar Surface Area73.6 Ų
Heavy Atom Count19
Formal Charge0
Complexity299
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1