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Technical details about CAS 134002-26-9, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: 134002-26-9, 3-(s)-(+)-(1-carbamoyl-1,1-diphenylmethyl)pyrroloidine-l-(+)-tartarate, Hmw3q5bc2m, Darifenacin intermediate iv, Darifenacin_dealkyl_tartrate, 3-(s)-(+)-(1-carbamoyl-1,1-diphenylmethyl)pyrroloidine-l-(+)-tartrate
Molecular Formula
C22H26N2O7
Molecular Weight
430.5  g/mol
InChI Key
HRXFENQYWZZQMX-NUFNRNBZSA-N
FDA UNII
HMW3Q5BC2M

1 2D Structure

2D Structure

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 Other Identifiers
2.2.1 UNII
HMW3Q5BC2M
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 134002-26-9

2. 3-(s)-(+)-(1-carbamoyl-1,1-diphenylmethyl)pyrroloidine-l-(+)-tartarate

3. Hmw3q5bc2m

4. Darifenacin Intermediate Iv

5. Darifenacin_dealkyl_tartrate

6. 3-(s)-(+)-(1-carbamoyl-1,1-diphenylmethyl)pyrroloidine-l-(+)-tartrate

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)pyrrolidine Tartrate

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

12. 3-(s)-(-)-(1-carbamoyl-1,1-diphenylmethyl)pyrrolidine Tartrate

13. Mfcd09750973

14. Unii-hmw3q5bc2m

15. Schembl3232082

16. Dtxsid50648092

17. Cs-m1817

18. Ac-379

19. Akos015920138

20. Ds-1229

21. (2r,3r)-2,3-dihydroxybutanedioic Acid; 2,2-diphenyl-2-[(3s)-pyrrolidin-3-yl]acetamide

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

23. Db-008994

24. 002d269

25. A806712

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

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

28. 3-(s)-(+)-(1-carbamoyl-1,1-diphenylmethyl)pyrrolidine L-(+)-tartrate

29. (2r,3r)-2,3-dihydroxybutanedioic Acid--2,2-diphenyl-2-[(3s)-pyrrolidin-3-yl]acetamide (1/1)

30. 3-pyrrolidineacetamide, .alpha.,.alpha.-diphenyl-, (3s)-, (2r,3r)-2,3-dihydroxybutanedioate (1:1)

31. 3-pyrrolidineacetamide, .alpha.,.alpha.-diphenyl-, (s)-, (r-(r*,r*))-2,3-dihydroxybutanedioate (1:1)

32. 3-pyrrolidineacetamide, Alpha,alpha-diphenyl-, (3s)-, (2r,3r)-2,3-dihydroxybutanedioate (1:1)

33. 3-pyrrolidineacetamide, Alpha,alpha-diphenyl-, (s)-, (r-(r*,r*))-2,3-dihydroxybutanedioate (1:1)

2.4 Create Date
2008-10-20
3 Chemical and Physical Properties
Molecular Weight 430.5 g/mol
Molecular Formula C22H26N2O7
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass430.17400117 g/mol
Monoisotopic Mass430.17400117 g/mol
Topological Polar Surface Area170 Ų
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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