CAS 134002-26-9

Chemistry, 2 End Use API, 6 Related Intermediates

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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

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Dalian Richon Chem

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Darifenacin Hydrobromide

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CAS Number

134002-26-9

Intermediate Name

2,2-Diphenyl-2-[(3S)-pyrrolidin-3-y...

About the Company

Dalian Richon Chem. Co., Ltd is a high-tech enterprise professionally involved in research and developmen...

Dalian Richon Chem. Co., Ltd is a high-tech enterprise professionally involved in research and development, manufacturing process and sales service of pharmaceutical intermediates and APIs. It has passed ISO9001:2000 international quality management system certificate. Its business scope includes development and manufacturing of APIs and pharmaceutical intermediates, contract development and manufacturing for domestic and international pharmaceutical companies, technical consultation, service and transfer.

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Darifenacin Hydrobromide

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CAS Number

134002-26-9

Intermediate Name

3-(S)-(+)-(1-carbamoyl-1,1-diphenyl...

About the Company

Established in 2000, Shodhana Laboratories offers a wide range of APIs and intermediates and caters to th...

Established in 2000, Shodhana Laboratories offers a wide range of APIs and intermediates and caters to the generic and custom requirements of some of the most prestigious pharma companies. It is WHO-GMP, ISO 9001-2008 and ISO 14000:2004 certified. Shodhana develops quality products through cutting-edge research, expertise and the best drug manufacturing practices. Its manufacturing processes are as per ICH guidelines and cGMP-compliant. Shodhana also has a world-class R&D lab manned by a team of highly qualified scientists. Shodhana exports the highest-quality APIs and intermediates to markets across several countries.

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