CAS 134002-26-9

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2 End Use APIs
6 Related Intermediates

Chemistry

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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

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 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 Formula	C₂₂H₂₆N₂O₇
Molecular Weight	430.5 g/mol
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Exact Mass	430.17400117 g/mol
Monoisotopic Mass	430.17400117 g/mol
Topological Polar Surface Area	170 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	472
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2