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CAS 87269-87-2 manufacturers and suppliers on PharmaCompass

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CAS 87269-87-2
Also known as: 87269-87-2, 38hks9c1wm, Benzyl (2s,3as,6as)-octahydrocyclopenta[b]pyrrole-2-carboxylate hydrochloride, 1279035-95-8, (s,s,s)-2-azabicyclo[3,3,0]-octane-3-carboxylic acid benzyl ester hydrochloride, Benzyl (2s,3as,6as)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole-2-carboxylate;hydrochloride
Molecular Formula
C15H20ClNO2
Molecular Weight
281.78  g/mol
InChI Key
HLXCXOQXUDRJLF-JKBZPBJLSA-N
FDA UNII
38HKS9C1WM

1 2D Structure

CAS 87269-87-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
benzyl (2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole-2-carboxylate;hydrochloride
2.1.2 InChI
InChI=1S/C15H19NO2.ClH/c17-15(18-10-11-5-2-1-3-6-11)14-9-12-7-4-8-13(12)16-14;/h1-3,5-6,12-14,16H,4,7-10H2;1H/t12-,13-,14-;/m0./s1
2.1.3 InChI Key
HLXCXOQXUDRJLF-JKBZPBJLSA-N
2.1.4 Canonical SMILES
C1CC2CC(NC2C1)C(=O)OCC3=CC=CC=C3.Cl
2.1.5 Isomeric SMILES
C1C[C@H]2C[C@H](N[C@H]2C1)C(=O)OCC3=CC=CC=C3.Cl
2.2 Other Identifiers
2.2.1 UNII
38HKS9C1WM
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 87269-87-2

2. 38hks9c1wm

3. Benzyl (2s,3as,6as)-octahydrocyclopenta[b]pyrrole-2-carboxylate Hydrochloride

4. 1279035-95-8

5. (s,s,s)-2-azabicyclo[3,3,0]-octane-3-carboxylic Acid Benzyl Ester Hydrochloride

6. Benzyl (2s,3as,6as)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole-2-carboxylate;hydrochloride

7. Benzyl (s,s,s)-2-azabicyclo[3.3.0]octane-3-carboxylate Hydrochloride

8. (s,s,s)-2-azabicyclo[3,3,0]-octane-3-carboxylic Acid Benzyl Ester, Hcl

9. (1s,3s,5s)-2-azabicyclo[3,3,0]octane-3-carborylic Acid Benzyl Ester Hydrochloride

10. (2s,3as,6as)-octahydrocyclopenta[b]pyrrole-2-carboxylic Acid Phenylmethyl Ester Hydrochloride

11. Cyclopenta(b)pyrrole-2-carboxylic Acid, Octahydro-, Phenylmethyl Ester, Hydrochloride (1:1), (2s,3ar,6ar)-

12. (s,s,s)-2-azabicyclo[3,3,0]-octane-3-carboxylic Acid Benzylester Hydrochloride

13. (2s,3as,6as)-octahydro-cyclopenta[b]pyrrole-2-carboxylic Acid, Benzyl Ester, Hcl

14. Unii-38hks9c1wm

15. Schembl1997637

16. (s,s)-2-azabicyclo[3,3,0]-octane-3-carboxylic Acid Benzylester Hydrochloride

17. Dtxsid501007472

18. Mfcd04974076

19. Akos015895588

20. Cs-w008300

21. Mg-0725

22. Db-025243

23. 269a872

24. J-502554

25. Q-200694

26. (2s,3as,6as)-benzyl Octahydrocyclopenta[b]pyrrole-2-carboxylate Hcl

27. (2s,3as,6as)-benzyl Octahydrocyclopenta[b]pyrrole-2-carboxylatehydrochloride

28. (2s,3as,6as)-benzyloctahydrocyclopenta[b]pyrrole-2-carboxylatehydrochloride

29. Benzyl (s,s,s)-2-azabicyclo[3,3,0]octane-3-carboxylate. Hydrochloride

30. Benzyl (s,s,s)-2-azabicyclo[3,3,0]octane-3-carboxylate.hydrochloride

31. Benzyl Octahydrocyclopenta[b]pyrrole-2-carboxylate--hydrogen Chloride (1/1)

32. (1s,3s,5s)-2-azabicyclo[3,3,0]-octane-3-3-carboxylic Acid Benzyl Ester Hydrochloride

33. (2s,3as,6as)-benzyl Octahydrocyclopenta-[b]pyrrole-2-carboxylate Hydrochloride

34. (2s,3as,6as)-benzyl Octahydrocyclopenta-[b]pyrrole-2-carboxylate Hydrochloride

35. (s,s,s)-2-azabicyclo [3,3,0] Octane-3-carboxylic Acid Benzyl Ester Hydrochloride

36. (s,s,s)-2-azabicyclo[3.3.0]octane-3-carboxylic Acid Benzyl Ester Hydrochloride

37. (s,s,s)-2-azabicyclo[3.3.0]octane-3-carboxylic Acid, Benzyl Ester, Hydrochloride

38. Benzyl (s,s,s)-2-azabicyclo[3.3.0]octane-3-carboxylate Hydrochloride, 97%

39. Benzyl(2s,3as,6as)-octahydrocyclopenta[b]pyrrole-2-carboxylate Hydrochloride

40. Benzyl (2s,3as,6as)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole-2-carboxylate,hydrochloride

2.4 Create Date
2007-02-08
3 Chemical and Physical Properties
Molecular Weight 281.78 g/mol
Molecular Formula C15H20ClNO2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass281.1182566 g/mol
Monoisotopic Mass281.1182566 g/mol
Topological Polar Surface Area38.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity299
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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