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Overview of CAS 31251-41-9

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4CH-023809
PharmaCompass
4CH-023809
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, 8-chloro-10,11-dihydro-4-aza-5h-benzo[a,d] cycloheptan-5-one, 8-chloro-10,11-dihydro-4-aza-5h-dibenzo[a,d]cycloheptan-5-one, 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

4CH-023809

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
8-chloro-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-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. 8-chloro-10,11-dihydro-4-aza-5h-benzo[a,d] Cycloheptan-5-one

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

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

7. 11h-benzo[5,6]cyclohepta[1,2-b]pyridin-11-one, 8-chloro-5,6-dihydro-

8. Unii-y8ma5g8500

9. Pubchem2463

10. Loratadine Ep Impurity B

11. Ben024

12. Schembl3839936

13. Ctk6h2015

14. Dtxsid40185183

15. Molport-003-845-799

16. Wmqnoyvvlmizdv-uhfffaoysa-n

17. Y8ma5g8500

18. Zinc2569976

19. Anw-58726

20. Cc-028

21. Mfcd00800222

22. Akos005067771

23. Acm31251419

24. Ac-26332

25. Aj-41806

26. Ak-72504

27. As-12268

28. Sc-75858

29. Ab0011626

30. Ax8015156

31. Tc-147471

32. Tl8006452

33. 4ch-023809

34. Ft-0638960

35. St24045780

36. A18619

37. M-1679

38. 251c419

39. C-14746

40. 8-chloro-10,11-dihydro-4-aza-5h-dibenzo-(a,d)cyclo

41. 8-chloro-10,11-dihydro-4 Aza-5h-benzo[a,d]cycloheptan-5-one

42. 8-chloro-10,11-dihydro-4-aza-5h-dibenzo-(a,d)cycloheptan-5one

43. 8-chloro-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-one

44. 8-chloro-10,11-dihydro-4 Aza-5h-benzo[a,d] Cycloheptan-5-one

45. 8-chloro-5,6-dihydro-11 H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-one

46. 8-chloro-5,6-dihydro-11h-benzo [5,6]cyclohepta [1,2-b]pyrid-11-one

47. 8-chloro-5,6-dihydro-11h-benzo[5,6]cyclohepta[1,2-b]pyrid-11-one

48. 8-chloro-5,6-dihydro-11h-benzo[5.6]cyclohepta[1,2-b]pyridin-11-one

49. 8-chloro-6,11-dihydro-5h-benzo(5,6)cyclohepta(1,2-b)pyridine-11-one

50. 13-chloro-4-azatricyclo[9.4.0.0(3),?]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one

51. 13-chloro-4-azatricyclo[9.4.0.0(3),?]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one

2.4 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 243.69 g/mol
Molecular Formula C14H10ClNO
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass243.045 g/mol
Monoisotopic Mass243.045 g/mol
Topological Polar Surface Area30 A^2
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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