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CAS 134002-26-9
PharmaCompass
CAS 134002-26-9
Also known as: 134002-26-9, (s)-2,2-diphenyl-2-(pyrrolidin-3-yl)acetamide (2r,3r)-2,3-dihydroxysuccinate, Ak-50671, (s)-, A,, A-diphenyl-3-pyrrolidine acetamide l-tartaric acid salt
Molecular Formula
C22H26N2O7
Molecular Weight
430.457  g/mol
InChI Key
HRXFENQYWZZQMX-NUFNRNBZSA-N

1 2D Structure

CAS 134002-26-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2R,3R)-2,3-dihydroxybutanedioic acid;2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetamide
2.1.2 InChI
InChI=1S/C18H20N2O.C4H6O6/c19-17(21)18(16-11-12-20-13-16,14-7-3-1-4-8-14)15-9-5-2-6-10-15;5-1(3(7)8)2(6)4(9)10/h1-10,16,20H,11-13H2,(H2,19,21);1-2,5-6H,(H,7,8)(H,9,10)/t16-;1-,2-/m11/s1
2.1.3 InChI Key
HRXFENQYWZZQMX-NUFNRNBZSA-N
2.1.4 Canonical SMILES
C1CNCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N.C(C(C(=O)O)O)(C(=O)O)O
2.1.5 Isomeric SMILES
C1CNC[C@@H]1C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 134002-26-9

2. (s)-2,2-diphenyl-2-(pyrrolidin-3-yl)acetamide (2r,3r)-2,3-dihydroxysuccinate

3. Ak-50671

4. (s)-

5. A,

6. A-diphenyl-3-pyrrolidine Acetamide L-tartaric Acid Salt

7. (s)-alpha,alpha-diphenyl-3-pyrrolidine Acetamide L-tartaric Acid Salt

8. 3-(s)-(1-carbamoyl-1,1-diphenylmethyl)pyrrolidine L-(+)-tartrate

9. (2r,3r)-2,3-dihydroxybutanedioic Acid; 2,2-diphenyl-2-[(3s)-pyrrolidin-3-yl]acetamide

10. 3-(s)-(+)-(1-carbamoyl-1,1-diphenylmethyl)pyrroloidine-l-(+)-tartarate

11. Pubchem14790

12. Pubchem14792

13. Schembl3232082

14. 3-(s)-(+)-(1-carbamoyl-1,1-diphenylmethyl)pyrroloidine-l-(+)-tartrate

15. Ctk4b8930

16. Ks-00000irw

17. Dtxsid50648092

18. C18h20n2o.c4h6o6

19. Molport-005-943-000

20. Cs-m1817

21. Ac-379

22. Anw-49565

23. Cc0085

24. Mfcd09750973

25. Akos015920138

26. Ds-1229

27. Bc225523

28. Br-50671

29. Ab1004898

30. Ax8018092

31. Db-008994

32. St2408254

33. Tc-138310

34. X3174

35. S-2813

36. 002d269

37. (s)-alpha,alpha-diphenyl-3-pyrrolidineacetamide L-tartrate

38. (s)-2,2-diphenyl-2-(pyrrolidin-3-yl)acetamide L-tartaric Acid Salt

39. 2,2-diphenyl-2-[(3s)-pyrrolidin-3-yl]acetamide; L-tartaric Acid

40. 3-(s)-(+)-(1-carbamoyl -1,1-diphenylmethyl)pyrrolidine L-(+)-tartrate

41. 3-(s)-(+)-(1-carbamoyl-1,1-diphenylmethyl)pyrrolidine L-(+)-tartrate

42. (s)-2,2-diphenyl-2-(pyrrolidin-3-yl)acetamide(2r,3r)-2,3-dihydroxysuccinate

43. 2,2-diphenyl-2-[(3s)-pyrrolidin-3-yl]acetamide; L(+)-tartaric Acid

44. (2r,3r)-2,3-dihydroxybutanedioic Acid--2,2-diphenyl-2-[(3s)-pyrrolidin-3-yl]acetamide (1/1)

45. (s)-

46. A,

47. A-diphenyl-3-pyrrolidineacetamide, [r-(r*,r*)]-2,3-dihydroxybutanedioate (1:1); (s)-3-(1-carbamoyl-1,1-diphenylmethyl)pyrrolidine L-tartrate; 3-(s)-(1-carbamoyl-1,1-diphenylmethyl)pyrrolidine Tartrate

2.3 Create Date
2008-10-20
3 Chemical and Physical Properties
Molecular Weight 430.457 g/mol
Molecular Formula C22H26N2O7
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass430.174 g/mol
Monoisotopic Mass430.174 g/mol
Topological Polar Surface Area170 A^2
Heavy Atom Count31
Formal Charge0
Complexity472
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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