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Also known as: 50892-62-1, 8-chloro-5,10-dihydro-11h-dibenzo[b,e][1,4]-diazepin-11-one, 8-chloro-5,10-dihydrodibenzo[b,e][1,4]diazepin-11-one, 3-chloro-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one, Chembl396034, Qt944n7mn3
Molecular Formula
C13H9ClN2O
Molecular Weight
244.67  g/mol
InChI Key
YVWNDABPZGGQFE-UHFFFAOYSA-N
FDA UNII
QT944N7MN3

CAS 50892-62-1
1 2D Structure

CAS 50892-62-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-chloro-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
2.1.2 InChI
InChI=1S/C13H9ClN2O/c14-8-5-6-11-12(7-8)16-13(17)9-3-1-2-4-10(9)15-11/h1-7,15H,(H,16,17)
2.1.3 InChI Key
YVWNDABPZGGQFE-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C2C(=C1)C(=O)NC3=C(N2)C=CC(=C3)Cl
2.2 Other Identifiers
2.2.1 UNII
QT944N7MN3
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 50892-62-1

2. 8-chloro-5,10-dihydro-11h-dibenzo[b,e][1,4]-diazepin-11-one

3. 8-chloro-5,10-dihydrodibenzo[b,e][1,4]diazepin-11-one

4. 3-chloro-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one

5. Chembl396034

6. Qt944n7mn3

7. 8-chloro-5h-dibenzo[b,e][1,4]diazepin-11(10h)-one

8. 8-chloro-11-oxo-10,11-dihydro-5h-dibenzo-1,4-diazepine

9. 8-chloro-5,10-dihydro-11h-dibenzo(b,e)(1,4)diazepin-11-one

10. 11h-dibenzo(b,e)(1,4)diazepin-11-one, 8-chloro-5,10-dihydro-

11. 8-chloro-5,10-dihydrodibenzo(b,e)(1,4)diazepin-11-one

12. Clozapine Impurity A

13. 8-chloro-5,10-dihydrodebenzo[b,e][1,4]diazepin-11-one

14. Chk1_8

15. Ec 700-018-5

16. Unii-qt944n7mn3

17. Oprea1_816901

18. Schembl1368761

19. Dtxsid10394689

20. Amy40898

21. Zinc2387146

22. Bdbm50218734

23. Mfcd01863368

24. 8-chloro-5, 10-dihydro-11h-dibenzo (b, E) (1, 4) Diazepin-11-one

25. Akos000282887

26. Ac-5494

27. Gs-3003

28. Clozapine Impurity A [usp Impurity]

29. Db-051857

30. Cs-0187284

31. Ft-0621521

32. H10197

33. 8-chloro-11-oxo-5h-dibenzo[b,e][1,4]diazepine

34. 892c621

35. A828333

36. Q27461113

37. 8-chloro-5,10-dihydro-dibenzo[b,e][1,4]diazepin-11-one

38. 8-chloro-5,10-dihydro-dibenzo[b,e][1,4]diazepine-11-one

39. 8-chloro-5,10-dihydrodibenzo[b,f][1,4]diazepin-11-one

40. 8-chloro-5,10-dihydro-11h-dibenzo[b,e][1,4]-diazepin-11one

41. 8-chloro-5,10-dihydro-11h-dibenzo(b,e)(1,4)-diazepine-11-one

42. 8-chloro-5,10-dihydro-11h-dibenzo[b,e][1,4]diazepine-11-one

43. 6-chloro-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one

44. Hk6

2.4 Create Date
2005-09-09
3 Chemical and Physical Properties
Molecular Weight 244.67 g/mol
Molecular Formula C13H9ClN2O
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass244.0403406 g/mol
Monoisotopic Mass244.0403406 g/mol
Topological Polar Surface Area41.1 Ų
Heavy Atom Count17
Formal Charge0
Complexity310
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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