AM20060204

Synopsis, Chemistry

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Also known as: 32634-68-7, Di-p-toluoyl-d-tartaric acid, (+)-di-1,4-toluoyl-d-tartaric acid, (2s,3s)-2,3-bis((4-methylbenzoyl)oxy)succinic acid, (+)-o,o'-di-p-toluoyl-d-tartaric acid, Ditoluoyltartaric acid, (+)-

Molecular Formula

C₂₀H₁₈O₈

Molecular Weight

386.4 g/mol

InChI Key

CMIBUZBMZCBCAT-HOTGVXAUSA-N

FDA UNII

4480MA5QIP

1 2D Structure

AM20060204

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S,3S)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid

2.1.2 InChI

InChI=1S/C20H18O8/c1-11-3-7-13(8-4-11)19(25)27-15(17(21)22)16(18(23)24)28-20(26)14-9-5-12(2)6-10-14/h3-10,15-16H,1-2H3,(H,21,22)(H,23,24)/t15-,16-/m0/s1

2.1.3 InChI Key

CMIBUZBMZCBCAT-HOTGVXAUSA-N

2.1.4 Canonical SMILES

CC1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O

2.1.5 Isomeric SMILES

CC1=CC=C(C=C1)C(=O)O[C@@H]([C@@H](C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O

2.2 Other Identifiers

2.2.1 UNII

4480MA5QIP

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Di-p-toluoyl-d-tartaric Acid

2. Di-p-toluoyltartaric Acid

2.3.2 Depositor-Supplied Synonyms

1. 32634-68-7

2. Di-p-toluoyl-d-tartaric Acid

3. (+)-di-1,4-toluoyl-d-tartaric Acid

4. (2s,3s)-2,3-bis((4-methylbenzoyl)oxy)succinic Acid

5. (+)-o,o'-di-p-toluoyl-d-tartaric Acid

6. Ditoluoyltartaric Acid, (+)-

7. (2s,3s)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic Acid

8. (+)-dtta

9. Mfcd00008552

10. (+)-ditoluoyltartaric Acid

11. (2s,3s)-2,3-bis[(4-methylbenzoyl)oxy]succinic Acid

12. 4480ma5qip

13. (+)-di-p-toluoyl-d-tartaric Acid

14. Di-p-toluoyl-l-tartaric Acid

15. Nsc-97592

16. (+)-di-(p-toluoyl)-d-tartaric Acid

17. (+)-di-o-p-toluoyl-d-tartaric Acid

18. [s(r*,r*)]-2,3-bis[(4-methylbenzoyl)oxy]succinic Acid

19. (+)-di-p-toluoyl-d-(+)-tartaric Acid

20. Butanedioic Acid, 2,3-bis((4-methylbenzoyl)oxy)-, (2s,3s)-

21. O,o'-di-p-toluoyl-d-tartaric Acid

22. (s(r*,r*))-2,3-bis((4-methylbenzoyl)oxy)succinic Acid

23. Unii-4480ma5qip

24. D-dtta

25. D-ptta

26. (+)-di-o,o'-p-toluyl-d-tartaric Acid

27. Nsc97592

28. Einecs 251-132-2

29. Nsc 97592

30. Di-p-toluoyl-d-tartaricacid

31. Schembl72682

32. Mls001165767

33. (+)-o,o Inverted Exclamation Mark -di-p-toluoyl-d-tartaric Acid

34. Chembl1490343

35. D-(+)-di-p-toluoyltartaric Acid

36. Dtxsid80885539

37. Hms2855f10

38. D-(+)-di-p-toluoyl-tartaric Acid

39. Act02733

40. Str08702

41. Zinc1632794

42. Di-(4-methyl)benzoyl-d-tartaric Acid

43. Akos000278447

44. Rivastigmine Related Compound A

45. Cs-w020568

46. Di-p-toluoyl-d-tartaric Acid Anhydrous

47. Ks-1018

48. (s,s)-o,o'-di-p-toluoyltartaric Acid

49. D-di-o,o'-p-toluyltartaric Acid

50. Ac-13647

51. Smr000550472

52. Sy004755

53. (+)-o,o'-di-1,4-toluoyl-d-tartaric Acid

54. Am20060204

55. D1417

56. D-(+)-tartaric Acid-o,o'-di-p-toluoyl Ester

57. D-bis(o-4-methylbenzoyl)tartaric Acid

58. O,o'-di-p-toluoyl-d-tartaric Acid Anhydrous

59. (2s,3s)-(+)-di-o-4-toluoyl-d-tartaric Acid

60. 34d687

61. Rivastigmine Related Compound A [usp-rs]

62. (2s,3s)-2,3-bis(4-methylbenzoyloxy)succinic Acid

63. O,o'-di-p-toluoyl-d-tartaric Acid, (+)-

64. Q-201014

65. (2s,3s)-2,3-bis[(4-methybenzoyl)oxy]succinic Acid

66. Q27258721

67. Rivastigmine Related Compound A [usp Impurity]

68. (2s,3s)-2,3-bis-(4-methyl-benzoyloxy)-succinic Acid

69. (+)-o,o'-di-p-toluoyl-d-tartaric Acid, Purum, >=98.0%

70. (2s,3s)-(+)-2,3-bis[(4-methylbenzoyl)oxy]butane-1,4-dioic Acid

71. (+)-o,o'-di-p-toluoyl-d-tartaric Acid, Made From Synthetic Tartaric Acid, 97%

72. Rivastigmine Related Compound A, United States Pharmacopeia (usp) Reference Standard

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₁₈O₈
Molecular Weight	386.4 g/mol
XLogP3	3.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	9
Exact Mass	386.10016753 g/mol
Monoisotopic Mass	386.10016753 g/mol
Topological Polar Surface Area	127 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	533
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1