CAS 38092-89-6

Chemistry, 12 End Use API, 32 Related Intermediates

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1 Intermediates

1 Intermediates

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

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 Formula	C₂₀H₂₁ClN₂
Molecular Weight	324.8 g/mol
XLogP3	4.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	324.1393264 g/mol
Monoisotopic Mass	324.1393264 g/mol
Topological Polar Surface Area	16.1 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	451
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1