CAS 80875-98-5 manufacturers and suppliers on PharmaCompass

PharmaCompass

Chemistry

Click the arrow to open the dropdown
read-moreClick the button for full data set
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

CAS 80875-98-5
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 Weight 169.22 g/mol
Molecular Formula C9H15NO2
XLogP3-1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass169.110278721 g/mol
Monoisotopic Mass169.110278721 g/mol
Topological Polar Surface Area49.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity193
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

Upload your portfolio for free, ask us

END USE APIs

read-more
read-more
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty