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2D Structure
Also known as: 885-70-1, 5h-benzo[e]pyrido[3,2-b][1,4]diazepin-6(11h)-one, 5,11-dihydro-6h-pyrido[2,3-b][1,4]benzodiazepin-6-one, Ls 75, 5,6-dihydro-6-oxo-11h-pyrido[2,3-b][1,4]benzodiazepine, Mfcd00190169
Molecular Formula
C12H9N3O
Molecular Weight
211.22  g/mol
InChI Key
MIRBIZDDMSFTKY-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5,11-dihydropyrido[2,3-b][1,4]benzodiazepin-6-one
2.1.2 InChI
InChI=1S/C12H9N3O/c16-12-8-4-1-2-5-9(8)14-11-10(15-12)6-3-7-13-11/h1-7H,(H,13,14)(H,15,16)
2.1.3 InChI Key
MIRBIZDDMSFTKY-UHFFFAOYSA-N
2.2 Synonyms
2.2.1 MeSH Synonyms

1. Ls 75

2. Ls-75

2.2.2 Depositor-Supplied Synonyms

1. 885-70-1

2. 5h-benzo[e]pyrido[3,2-b][1,4]diazepin-6(11h)-one

3. 5,11-dihydro-6h-pyrido[2,3-b][1,4]benzodiazepin-6-one

4. Ls 75

5. 5,6-dihydro-6-oxo-11h-pyrido[2,3-b][1,4]benzodiazepine

6. Mfcd00190169

7. Chembl307792

8. Ls-75

9. 5,6-dihydro-6-oxo-11h-pyrido-[2,3-b][1,4]benzodiazepine

10. 5,11-dihydro-6h-pyrido(2,3-b)(1,4)benzodiazepin-6-one

11. Einecs 212-944-2

12. Oprea1_042957

13. Schembl2420515

14. Dtxsid70237083

15. Bdbm50524091

16. Stk500086

17. Akos005454433

18. Ab04502

19. Ds-0917

20. Fs-3076

21. Hy-w156961

22. 2,4,9-triazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one

23. Sy107506

24. Db-057082

25. Cs-0213333

26. Ns00039279

27. En300-235767

28. 11h-pyrido[2,3-b][1,4]benzodiazepin-6(5h)-one

29. J-516461

30. 5h-benzo[e]pyrido[3,2-b]-1,4]diazepin-6(11h)-one

31. F1967-0621

32. Z1509140757

33. 5,11-dihydro-6h-pyrido[2,3-b][1,4]benzodiazepin- 6-one

34. (6h)pyrido[2,3-b][1,4]benzodiazepin-6-one, 5,11-dihydro-

35. 5,11-dihydro-6h-pyrido-[2,3-b][1,4]-benzodiazepine-6-one

36. 5,11-dihydro-6h-pyrido[2,3-b][1,4]-benzodiazepine-6-one

37. 5,11-dihydro-6h-pyrido[2,3-b][1,4]benzodiazepin-6-one #

38. 6h-pyrido[2,3-b][1,4]benzodiazepin-6-one, 5,11-dihydro-

39. 2,4,9-triazatricyclo[9.4.0.0,3,8]pentadeca-1(15),3,5,7,11,13-hexaen-10-one

40. 5 Pound Not11-dihydropyrido[2 Pound Not3-b][1 Pound Not4]benzodiazepin-6-one

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 211.22 g/mol
Molecular Formula C12H9N3O
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area54
Heavy Atom Count16
Formal Charge0
Complexity281
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1