CAS 63547-24-0

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2 Suppliers, 2 End Use APIs, 8 Related Intermediates

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2 End Use APIs
8 Related Intermediates

Chemistry

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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

CAS 63547-24-0

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 Formula	C₁₅H₁₄O₃S
Molecular Weight	274.3 g/mol
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	274.06636548 g/mol
Monoisotopic Mass	274.06636548 g/mol
Topological Polar Surface Area	73.6 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	299
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