CAS 4698-11-7

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Chemistry

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Also known as: 4698-11-7, 10-methoxy-5h-dibenzo[b,f]azepine, 10-methoxy iminostilbene, 10-methoxy-5h-dibenz[b,f]azepine, 5-methoxy-11h-benzo[b][1]benzazepine, 10-methoxy-5h-dibenz(b,f)azepine

Molecular Formula

C₁₅H₁₃NO

Molecular Weight

223.27 g/mol

InChI Key

ZKHZWXLOSIGIGZ-UHFFFAOYSA-N

FDA UNII

C935IN7U43

1 2D Structure

CAS 4698-11-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-methoxy-11H-benzo[b][1]benzazepine

2.1.2 InChI

InChI=1S/C15H13NO/c1-17-15-10-11-6-2-4-8-13(11)16-14-9-5-3-7-12(14)15/h2-10,16H,1H3

2.1.3 InChI Key

ZKHZWXLOSIGIGZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC2=CC=CC=C2NC3=CC=CC=C31

2.2 Other Identifiers

2.2.1 UNII

C935IN7U43

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 4698-11-7

2. 10-methoxy-5h-dibenzo[b,f]azepine

3. 10-methoxy Iminostilbene

4. 10-methoxy-5h-dibenz[b,f]azepine

5. 5-methoxy-11h-benzo[b][1]benzazepine

6. 10-methoxy-5h-dibenz(b,f)azepine

7. 5h-dibenz[b,f]azepine, 10-methoxy-

8. Oxcarbazepine Ep Impurity H;

9. C935in7u43

10. Mfcd00101079

11. 10-methoxy-5h-dibenzo(b,f)azepine

12. 5h-dibenz(b,f)azepine, 10-methoxy-

13. Einecs 225-172-6

14. Oxcarbazepine Ep Impurity H

15. Unii-c935in7u43

16. 10-methoxydibenzazepine

17. 10-methoxy-dibenz[b,f]azepine

18. Schembl1572195

19. Chembl3580711

20. 10-methoxy-2,2'-iminostilbene

21. Dtxsid20196999

22. Zinc2575314

23. 10-methoxy-5h -dibenz[b,f]azepine

24. Akos015902176

25. Ac-7755

26. Cs-w013089

27. (e)-10-methoxy-5h-dibenzo[b,f]azepine

28. As-13941

29. Sy027357

30. Am20040528

31. Ft-0607193

32. M1895

33. Oxcarbazepine Impurity H [ep Impurity]

34. Ec 225-172-6

35. 10-methoxy-5h-dibenzo[b,f]azepine, Aldrichcpr

36. 698m117

37. A912798

38. Q-100007

39. Q27275341

40. 10-methoxy Iminostilbene; 10-methoxy-5h-dibenzo[b,f]azepine

41. 10-methoxyiminostilbene (10-methoxy-5h-dibenzo[b,f]azepine)

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₃NO
Molecular Weight	223.27 g/mol
XLogP3	3.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	223.099714038 g/mol
Monoisotopic Mass	223.099714038 g/mol
Topological Polar Surface Area	21.3 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	299
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