CAS No 885-70-1

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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

CAS No 885-70-1

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 Formula	C₁₂H₉N₃O
Molecular Weight	211.22 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	54
Heavy Atom Count	16
Formal Charge	0
Complexity	281
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