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CAS 73942-87-7 manufacturers and suppliers on PharmaCompass

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CAS 73942-87-7
Also known as: 73942-87-7, 7,8-dimethoxy-1,3-dihydro-3-benzazepin-2-one, 1,3-dihydro-7,8-dimethoxy-2h-3-benzazepin-2-one, Ivabradine impurity 22, 2h-3-benzazepin-2-one, 1,3-dihydro-7,8-dimethoxy-, Hv3zhp3f8a
Molecular Formula
C12H13NO3
Molecular Weight
219.24  g/mol
InChI Key
CPNZASIAJKSBBH-UHFFFAOYSA-N
FDA UNII
HV3ZHP3F8A

1 2D Structure

CAS 73942-87-7

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
7,8-dimethoxy-1,3-dihydro-3-benzazepin-2-one
2.1.2 InChI
InChI=1S/C12H13NO3/c1-15-10-5-8-3-4-13-12(14)7-9(8)6-11(10)16-2/h3-6H,7H2,1-2H3,(H,13,14)
2.1.3 InChI Key
CPNZASIAJKSBBH-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=C(C=C2C=CNC(=O)CC2=C1)OC
2.2 Other Identifiers
2.2.1 UNII
HV3ZHP3F8A
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 73942-87-7

2. 7,8-dimethoxy-1,3-dihydro-3-benzazepin-2-one

3. 1,3-dihydro-7,8-dimethoxy-2h-3-benzazepin-2-one

4. Ivabradine Impurity 22

5. 2h-3-benzazepin-2-one, 1,3-dihydro-7,8-dimethoxy-

6. Hv3zhp3f8a

7. 7,8-dimethoxy-1h-benzo[d]azepin-2(3h)-one

8. 7,8-dimethoxy-2,3-dihydro-1h-3-benzazepin-2-one

9. Unii-hv3zhp3f8a

10. Mls000720765

11. Schembl333847

12. Schembl1533850

13. Chembl1305093

14. Dtxsid10363259

15. Chebi:109655

16. Hms2708e18

17. Bcp10457

18. Cs-b1125

19. Zinc1395725

20. Bbl029581

21. Mfcd02091565

22. Stl373037

23. Akos015951200

24. Ac-4648

25. Smr000336763

26. Db-074766

27. Am20090734

28. D4824

29. Ft-0657505

30. 6x-0944

31. A837974

32. Sr-01000307300

33. 2,3-dihydro-7,8-dimethoxy-2-oxo-1h-3-benzazepine

34. 7,8-dimethoxy-2-oxo-1,3-dihydro-2h-3-benzazepine

35. J-503905

36. Sr-01000307300-1

37. 7,8-dimethoxy-2,3-dihydro-1h-3-benzoazepine-2-one

38. Q27188821

2.4 Create Date
2005-07-11
3 Chemical and Physical Properties
Molecular Weight 219.24 g/mol
Molecular Formula C12H13NO3
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass219.08954328 g/mol
Monoisotopic Mass219.08954328 g/mol
Topological Polar Surface Area47.6 Ų
Heavy Atom Count16
Formal Charge0
Complexity290
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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