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Also known as: 38092-89-6, 8-chloroazatadine, N-methyl desloratadine, 8-chloro-6,11-dihydro-11-(1-methyl-4-piperidinylidene)-5h-benzo[5,6]cyclohepta[1,2-b]pyridine, Loratadine related compound b, Loratadine ep impurity g
Molecular Formula
C20H21ClN2
Molecular Weight
324.8  g/mol
InChI Key
VLXSCTINYKDTKR-UHFFFAOYSA-N
FDA UNII
70V8053T5G

CAS 38092-89-6
1 2D Structure

CAS 38092-89-6

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
13-chloro-2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
2.1.2 InChI
InChI=1S/C20H21ClN2/c1-23-11-8-14(9-12-23)19-18-7-6-17(21)13-16(18)5-4-15-3-2-10-22-20(15)19/h2-3,6-7,10,13H,4-5,8-9,11-12H2,1H3
2.1.3 InChI Key
VLXSCTINYKDTKR-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CN1CCC(=C2C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)CC1
2.2 Other Identifiers
2.2.1 UNII
70V8053T5G
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 38092-89-6

2. 8-chloroazatadine

3. N-methyl Desloratadine

4. 8-chloro-6,11-dihydro-11-(1-methyl-4-piperidinylidene)-5h-benzo[5,6]cyclohepta[1,2-b]pyridine

5. Loratadine Related Compound B

6. Loratadine Ep Impurity G

7. 8-chloro-11-(1-methylpiperidin-4-ylidene)-6,11-dihydro-5h-benzo[5,6]cyclohepta[1,2-b]pyridine

8. 8-chloro Azatadine

9. Chembl420316

10. Mfcd06411084

11. 70v8053t5g

12. 8-chloro-11-(1-methylpiperidin-4-ylidene)-6,11-dihydro-5h-benzo(5,6)cyclohepta(1,2-b)pyridine

13. 13-chloro-2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene

14. 5h-benzo(5,6)cyclohepta(1,2-b)pyridine, 8-chloro-6,11-dihydro-11-(1-methyl-4-piperidinylidene)-

15. 8-chloro-11-(1-methylpiperidin-4-ylidene)-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridine

16. Loratadine Impurity G [ep]

17. Unii-70v8053t5g

18. Loratadine Related Compound B [usp]

19. Loratadine Related Compound B Rs [usp]

20. 8-chloro-5,6-dihydro-11h-benzo[5,6]cyclohepto[1,2-b]pyridine-11-one

21. Schembl4460572

22. Dtxsid40191502

23. Act04866

24. Bcp31809

25. Zinc2015181

26. Bdbm50031228

27. Stl481882

28. Akos005216035

29. Ds-7427

30. 8-chloro-6,11-dihydro-11-(1-methyl-4-piperidylidene)-5h-benzo[5,6]cyclohepta[1,2-b]pyridine

31. Ac-26333

32. Sy110869

33. Db-002621

34. Loratadine Impurity G [ep Impurity]

35. Cs-0151108

36. Ft-0671893

37. Loratadine Ep Impurity G (usp Rc B)

38. Loratadine Related Compound B [usp-rs]

39. 092c896

40. A856099

41. Loratadine Related Compound B [usp Impurity]

42. Q27265894

43. N-methyl Desloratadine;8-chloroazatadine;n-methyldesloratadine

44. 11-(1-methylpiperidine-4-ylidene)-8-chloro-5,6-dihydro-11h-benzo[5,6]cyclohepta[1,2-b]pyridine

45. 13-chloro-2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.0^{3,8]pentadeca-1(11),3(8),4,6,12,14-hexaene

46. 8-chloro-6,11-dihydro- 11-(1-methyl-4-piperidinylidene)-5h-benzo[5,6]cyclohepta[1,2-b]pyridine

47. 8-chloro-6,11-dihydro-11-(1-methyl-4-piperidinylidene)-5h-benzo-[5,6]-cyclohepta-[1,2-b]-pyridine

48. 8-chloro-6,11-dihydro-11-(1-methyl-4-piperidinylidene)-5h-benzo[5,6]cyclohepta[1,2-b] Pyridine

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 324.8 g/mol
Molecular Formula C20H21ClN2
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass324.1393264 g/mol
Monoisotopic Mass324.1393264 g/mol
Topological Polar Surface Area16.1 Ų
Heavy Atom Count23
Formal Charge0
Complexity451
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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