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CAS 207557-35-5 manufacturers and suppliers on PharmaCompass

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CAS 207557-35-5
Also known as: 207557-35-5, (s)-1-(2-chloroacetyl)pyrrolidine-2-carbonitrile, (2s)-1-(2-chloroacetyl)pyrrolidine-2-carbonitrile, (s)-1-(2-chloroacetyl)-pyrrolidine-2-carbonitrile, (s)-1-(2-chloro-acetyl)-pyrrolidine-2-carbonitrile, 2-pyrrolidinecarbonitrile, 1-(2-chloroacetyl)-, (2s)-
Molecular Formula
C7H9ClN2O
Molecular Weight
172.61  g/mol
InChI Key
YCWRPKBYQZOLCD-LURJTMIESA-N

1 2D Structure

CAS 207557-35-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S)-1-(2-chloroacetyl)pyrrolidine-2-carbonitrile
2.1.2 InChI
InChI=1S/C7H9ClN2O/c8-4-7(11)10-3-1-2-6(10)5-9/h6H,1-4H2/t6-/m0/s1
2.1.3 InChI Key
YCWRPKBYQZOLCD-LURJTMIESA-N
2.1.4 Canonical SMILES
C1CC(N(C1)C(=O)CCl)C#N
2.1.5 Isomeric SMILES
C1C[C@H](N(C1)C(=O)CCl)C#N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 207557-35-5

2. (s)-1-(2-chloroacetyl)pyrrolidine-2-carbonitrile

3. (2s)-1-(2-chloroacetyl)pyrrolidine-2-carbonitrile

4. (s)-1-(2-chloroacetyl)-pyrrolidine-2-carbonitrile

5. (s)-1-(2-chloro-acetyl)-pyrrolidine-2-carbonitrile

6. 2-pyrrolidinecarbonitrile, 1-(2-chloroacetyl)-, (2s)-

7. 2-pyrrolidinecarbonitrile, 1-(chloroacetyl)-, (2s)-

8. (2s)-1-(chloroacetyl)pyrrolidine-2-carbonitrile

9. (2s)-1-(2-chloroacetyl)-2-9-pyrrolidinecarbonitrile

10. Mfcd08689902

11. Schembl605418

12. Dtxsid00454201

13. Act04998

14. Cs-d1786

15. Zinc16697477

16. Akos006291018

17. Akos016015838

18. Ac-8547

19. (2s)-n-chloroacetyl-2-cyanopyrrolidine

20. Ds-13426

21. Db-009115

22. Am20090696

23. 1-(chloroacetyl)pyrrolidine-2alpha-carbonitrile

24. (s)-1-(chloroacetyl)-2-pyrrolidinecarbonitrile

25. 1-(2-chloroacetyl)pyrrolidine-2-(s)-carbonitrile

26. 557c355

27. A814859

28. (s)-1-(2'-chloroacetyl)pyrrolidine-2-carbonitrile

29. (s)-1-(2-chloro-acetyl)pyrrolidine-2-carbonitrile

30. Q-200012

31. 1-(2-chloroacetyl)pyrrolidine-2-carbonitrile;(s)-1-(2-chloroacetyl)pyrrolidine-2-carbonitrile

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 172.61 g/mol
Molecular Formula C7H9ClN2O
XLogP30.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass172.0403406 g/mol
Monoisotopic Mass172.0403406 g/mol
Topological Polar Surface Area44.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity208
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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Digital Content Digital Content
URL Supplier Web Content
207557-35-5
Vildagliptin
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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