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CAS 31251-41-9
Also known as: 31251-41-9, 8-chloro-5h-benzo[5,6]cyclohepta[1,2-b]pyridin-11(6h)-one, 8-chloro-5,6-dihydro-11h-benzo(5,6)cyclohepta(1,2-b)pyridin-11-one, Loratadine related compound c, Loratadine ep impurity b, 8-chloro-10,11-dihydro-4-aza-5h-dibenzo-(a,d)cycloheptan-5-one
Molecular Formula
C14H10ClNO
Molecular Weight
243.69  g/mol
InChI Key
WMQNOYVVLMIZDV-UHFFFAOYSA-N
FDA UNII
Y8MA5G8500

1 2D Structure

CAS 31251-41-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one
2.1.2 InChI
InChI=1S/C14H10ClNO/c15-11-5-6-12-10(8-11)4-3-9-2-1-7-16-13(9)14(12)17/h1-2,5-8H,3-4H2
2.1.3 InChI Key
WMQNOYVVLMIZDV-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CC2=C(C=CC(=C2)Cl)C(=O)C3=C1C=CC=N3
2.2 Other Identifiers
2.2.1 UNII
Y8MA5G8500
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 31251-41-9

2. 8-chloro-5h-benzo[5,6]cyclohepta[1,2-b]pyridin-11(6h)-one

3. 8-chloro-5,6-dihydro-11h-benzo(5,6)cyclohepta(1,2-b)pyridin-11-one

4. Loratadine Related Compound C

5. Loratadine Ep Impurity B

6. 8-chloro-10,11-dihydro-4-aza-5h-dibenzo-(a,d)cycloheptan-5-one

7. 8-chloro-10,11-dihydro-4-aza-5h-dibenzo[a,d]cycloheptan-5-one

8. 11h-benzo[5,6]cyclohepta[1,2-b]pyridin-11-one, 8-chloro-5,6-dihydro-

9. 13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one

10. 8-chloro-10,11-dihydro-4-aza-5h-benzo[a,d] Cycloheptan-5-one

11. Y8ma5g8500

12. Mfcd00800222

13. 8-chloro-5,6-dihydro-11h-benzo[5.6]cyclohepta[1,2-b]pyridin-11-one

14. Unii-y8ma5g8500

15. 8-chloro-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-one

16. Loratadine Specified Impurity B [ep]

17. Loratadine Related Compound C Rs [usp]

18. Ec 700-257-5

19. Schembl3839936

20. Dtxsid40185183

21. Bcp31805

22. Zinc2569976

23. Akos005067771

24. Ac-26332

25. As-12268

26. Loratadine Impurity, 8-chloro-6,11-dihydro-5h-benzo(5,6)cyclohepta(1,2-b)pyridin-11-one- [usp]

27. Sy053120

28. Loratadine Impurity B [ep Impurity]

29. Cs-0022883

30. Ft-0638960

31. Loratadine Ep Impurity B ( Usp Rc C)

32. A18619

33. Loratadine Related Compound C [usp-rs]

34. 251c419

35. Loratadine Related Compound C [usp Impurity]

36. Q27294379

37. 8-chloro-10,11-dihydro-4-aza-5h-dibenzo-(a,d)cycloheptan-5one

38. 8-chloro-10,11-dihydro-4-aza-5h-dibenzo[a,d]cyclohepten-5-one

39. 8-chloro-10,11-dihydro-4 Aza-5h-benzo[a,d] Cycloheptan-5-one

40. 8-chloro-5,6-dihydro-11 H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-one

41. 8-chloro-5,6-dihydro-11h-benzo [5,6]cyclohepta [1,2-b]pyrid-11-one

42. 8-chloro-5,6-dihydro-11h-benzo[5,6]cyclo Hepta[1,2-b]pyridin-11-one

43. 8-chloro-5,6-dihydro-11h-benzo[5,6]cyclohepta[1,2-b]pyrid-11-one

44. Loratadine Impurity, 8-chloro-6,11-dihydro-5h-benzo(5,6)cyclohepta(1,2-b)pyridin-11-one- [usp Impurity]

2.4 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 243.69 g/mol
Molecular Formula C14H10ClNO
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass243.0450916 g/mol
Monoisotopic Mass243.0450916 g/mol
Topological Polar Surface Area30 Ų
Heavy Atom Count17
Formal Charge0
Complexity307
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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