CAS 80875-98-5

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4 End Use APIs
15 Related Intermediates

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Also known as: 80875-98-5, (2s,3as,7as)-2-carboxyoctahydroindole, (2s,3as,7as)-octahydroindole-2-carboxylic acid, L-octahydroindole-2-carboxylic acid, 2-carboxyoctahydroindole, (2s,3as,7as)-, H-oic-oh

Molecular Formula

C₉H₁₅NO₂

Molecular Weight

169.22 g/mol

InChI Key

CQYBNXGHMBNGCG-FXQIFTODSA-N

FDA UNII

9ID44U804I

1 2D Structure

CAS 80875-98-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic acid

2.1.2 InChI

InChI=1S/C9H15NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h6-8,10H,1-5H2,(H,11,12)/t6-,7-,8-/m0/s1

2.1.3 InChI Key

CQYBNXGHMBNGCG-FXQIFTODSA-N

2.1.4 Canonical SMILES

C1CCC2C(C1)CC(N2)C(=O)O

2.1.5 Isomeric SMILES

C1CC[C@H]2[C@@H](C1)C[C@H](N2)C(=O)O

2.2 Other Identifiers

2.2.1 UNII

9ID44U804I

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Octahydroindole-2-carboxylic Acid

2.3.2 Depositor-Supplied Synonyms

1. 80875-98-5

2. (2s,3as,7as)-2-carboxyoctahydroindole

3. (2s,3as,7as)-octahydroindole-2-carboxylic Acid

4. L-octahydroindole-2-carboxylic Acid

5. 2-carboxyoctahydroindole, (2s,3as,7as)-

6. H-oic-oh

7. 1h-indole-2-carboxylic Acid, Octahydro-, (2s,3as,7as)-

8. (2s,3as,7as)-2,3,3a,4,5,6,7,7a-octahydro-1h-indole-2-carboxylic Acid

9. (2s,3as,7as)-perhydroindole-2-carboxylic Acid

10. 2-carboxyoctahydroindole, (2s,3as,7as)-(-)-

11. 9id44u804i

12. (2s,3as,7as)octahydro-1h-indole-2-carboxylic Acid

13. Octahydroindole-2-carboxylic Acid

14. (2s, 3as, 7as)-2-carboxy Octahydro Indole

15. (2s,3as,7as)-2,3,3a,4,5,6,7,7a-octahydro-1h-indol-1-ium-2-carboxylate

16. L-(2s,3as,7as)-octahydroindole-2-carboxylic Acid

17. Unii-9id44u804i

18. Mfcd07782125

19. Perindopril Impurity A

20. (2s,3as,7as)-2-carboxyperhydroindole

21. (2s,3as,7as)-octahydro-indole-2-carboxylic Acid

22. (s,s,s)-perhydroindolic Acid

23. Perindopril Related Compound 7

24. Perindopril Tert-butylamine Specified Impurity A [ep]

25. Schembl1414979

26. Dtxsid00230764

27. Hms1759a13

28. Act02571

29. Bcp28533

30. Cs-b0794

31. Zinc4899687

32. Ac7741

33. Perindopril Related Compound A

34. 1h-indole-2-carboxylic Acid, Octahydro-, (2s-(2alpha,3abeta,7abeta))-

35. Akos001215436

36. Akos005257625

37. Db03409

38. (2s,3as,7as)-2-carboxyperhydro Indole

39. (2s,3as,7as)-2-carboxyocta Hydroindole

40. Ds-12934

41. Am20070552

42. O0370

43. En300-14049

44. (2s,3as,7as)octahydroindole-2-carboxylic Acid

45. Octahydroindole-2-carboxylicacid(2s,3as,7as)

46. Perindopril Related Compound A [usp-rs]

47. Ab00979926-01

48. 875c985

49. A840000

50. (2s, 3as,7as)-octahydro-indole-2-carboxylic Acid

51. (2s,3as,7as)-octahydro-1h-indolium-2-carboxylate

52. Q-102572

53. Q-200013

54. Q27272593

55. Z169856808

56. Perindopril Tert-butylamine Impurity A [ep Impurity]

57. [2s,3abeta,7abeta,(?)]-octahydro-1h-indole-2alpha-carboxylic Acid

58. Perindopril Impurity A, European Pharmacopoeia (ep) Reference Standard

59. 1h-indole-2-carboxylic Acid, Octahydro-, (2s-(2.alpha.,3a.beta.,7a.beta.))-

60. Perindopril Related Compound A, United States Pharmacopeia (usp) Reference Standard

2.4 Create Date

2006-07-29

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₅NO₂
Molecular Weight	169.22 g/mol
XLogP3	-1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	169.110278721 g/mol
Monoisotopic Mass	169.110278721 g/mol
Topological Polar Surface Area	49.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	193
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	1