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CAS 74163-81-8 manufacturers and suppliers on PharmaCompass

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L-Porretine
Also known as: 74163-81-8, L-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, (3s)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, L-porretine, H-tic-oh, (s)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid
Molecular Formula
C10H11NO2
Molecular Weight
177.20  g/mol
InChI Key
BWKMGYQJPOAASG-VIFPVBQESA-N
FDA UNII
737G46U1NP

1 2D Structure

L-Porretine

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
2.1.2 InChI
InChI=1S/C10H11NO2/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9/h1-4,9,11H,5-6H2,(H,12,13)/t9-/m0/s1
2.1.3 InChI Key
BWKMGYQJPOAASG-VIFPVBQESA-N
2.1.4 Canonical SMILES
C1C(NCC2=CC=CC=C21)C(=O)O
2.1.5 Isomeric SMILES
C1[C@H](NCC2=CC=CC=C21)C(=O)O
2.2 Other Identifiers
2.2.1 UNII
737G46U1NP
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 74163-81-8

2. L-1,2,3,4-tetrahydroisoquinoline-3-carboxylic Acid

3. (3s)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic Acid

4. L-porretine

5. H-tic-oh

6. (s)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic Acid

7. (s)-(-)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic Acid

8. (3s)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic Acid

9. S-(-)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic Acid

10. 3-isoquinolinecarboxylic Acid, 1,2,3,4-tetrahydro-, (3s)-

11. 737g46u1np

12. 1,2,3,4-tetrahydroisoquinoline-3(s)-carboxylic Acid

13. (-)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic Acid

14. (s)-1,2,3,4-tetrahydro-3-isoquinoline-carboxylic Acid

15. 1,2,3,4-tetrahydroisoquinoline-3-carboxylic Acid, (s)-

16. (s)-(-)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic Acid

17. Mfcd00144533

18. L-tic

19. Unii-737g46u1np

20. H-l-tic-oh

21. (r)-(+)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic Acid

22. Schembl288272

23. S-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic Acid

24. Chembl447576

25. Act01929

26. Cs-d1187

27. Str03867

28. Zinc3881715

29. Akos016842273

30. Ts-02454

31. A9522

32. Am20060719

33. J1119

34. T1515

35. 163t818

36. J-650310

37. L-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic Acid

38. Q-103215

39. 1,2,3,4-tetrahydro-3(s)-isoquinolinecarboxylic Acid

40. 1,2,3,4-tetrahydroisoquinoline-(3s)-carboxylic Acid

41. Q27266148

42. S-1,2,3,4-tetrahydro-3-isoquinoline Carboxylic Acid

43. (3s)-1,2,3,4-tetrahydro-3-isoquinolinecarbocylic Acid

44. (3s)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic Acid

45. L-(3s)1,2,3,4-tetrahydroisoquinoline-3-carboxylic Acid

46. Quinapril Hydrochloride Impurity A [ep Impurity]

47. Z1696862396

48. (s)-(-)-1,2,3,4-tetrahydro-3-isoquindinecarboxylic Acid

49. (s)-(-)-1,2,3,4-tetrahydro-3-isoquinoline-carboxylic Acid

50. (s)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic Acid, 97%

51. 1,2,3,4-tetrahydroisoquinoline-3-carboxylic Acid, (-)-

52. 1,2,3,4-tetrahydroisoquinoline-3-carboxylic Acid, (3s)-

2.4 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 177.20 g/mol
Molecular Formula C10H11NO2
XLogP3-1.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass177.078978594 g/mol
Monoisotopic Mass177.078978594 g/mol
Topological Polar Surface Area49.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity205
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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