CAS 50892-62-1

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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

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 Formula	C₁₃H₉ClN₂O
Molecular Weight	244.67 g/mol
XLogP3	3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	244.0403406 g/mol
Monoisotopic Mass	244.0403406 g/mol
Topological Polar Surface Area	41.1 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	310
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