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2D Structure
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

1 2D Structure

2D Structure

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