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Also known as: 36507-30-9, Carbamazepine 10,11-epoxide, Carbamazepine epoxide, 10,11-epoxycarbamazepine, Carbamazepine 10,11-oxide, 1a,10b-dihydro-6h-dibenzo[b,f]oxireno[d]azepine-6-carboxamide
Molecular Formula
C15H12N2O2
Molecular Weight
252.27  g/mol
InChI Key
ZRWWEEVEIOGMMT-UHFFFAOYSA-N
FDA UNII
QC9505F279

CAS 36507-30-9
1 2D Structure

CAS 36507-30-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-oxa-11-azatetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene-11-carboxamide
2.1.2 InChI
InChI=1S/C15H12N2O2/c16-15(18)17-11-7-3-1-5-9(11)13-14(19-13)10-6-2-4-8-12(10)17/h1-8,13-14H,(H2,16,18)
2.1.3 InChI Key
ZRWWEEVEIOGMMT-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C2C(=C1)C3C(O3)C4=CC=CC=C4N2C(=O)N
2.2 Other Identifiers
2.2.1 UNII
QC9505F279
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 10,11-epoxycarbamazepine

2. Carbamazepine 10,11-epoxide

3. Carbamazepine 10,11-oxide

4. Carbamazepine Epoxide

5. Carbamazepine Epoxide, 1a-(13)c-labeled

6. Cbz-10,11-epoxide

2.3.2 Depositor-Supplied Synonyms

1. 36507-30-9

2. Carbamazepine 10,11-epoxide

3. Carbamazepine Epoxide

4. 10,11-epoxycarbamazepine

5. Carbamazepine 10,11-oxide

6. 1a,10b-dihydro-6h-dibenzo[b,f]oxireno[d]azepine-6-carboxamide

7. 1ah-dibenzo[b,f]oxireno[2,3-d]azepine-6(10bh)-carboxamide

8. Gp 49-023

9. 6h-dibenz[b,f]oxireno[d]azepine-6-carboxamide, 1a,10b-dihydro-

10. Chebi:3388

11. 3-oxa-11-azatetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene-11-carboxamide

12. Qc9505f279

13. Carbamazepine 10,11-epoxide, Analytical Standard

14. Carbamazepine-10,11-trans-dihydrodiol

15. Brn 1219988

16. 1a,10b-dihydro-6h-dibenz(b,f)oxireno(d)azepine-6-carboxamide

17. 1a,10b-dihydro-6h-dibenz[b,f]oxireno[d]azepine-6-carboxamide

18. 10,11-dihydro-10,11-epoxycarbamazepine

19. 6h-dibenz(b,f)oxireno(d)azepine-6-carboxamide, 1a,10b-dihydro-

20. Cbz-e

21. Unii-qc9505f279

22. 1a,10b-dihydro-6h-dibenz(b,f)oxiren(d)azepine-6-carboxamide

23. Chembl1258

24. Carbamazepin-10,11-epoxide

25. Schembl156675

26. Dtxsid60891456

27. 6h-dibenz(b,f)oxiren(d)azepine-6-carboxamide, 1a,10b-dihydro-

28. Bdbm50446047

29. Carbamazepine 10,11-epoxide-[d2]

30. Mfcd00467137

31. Akos027327549

32. Carbamazepine-10,11-epoxide Solution

33. Cs-w014094

34. Hy-w013378

35. Ds-11818

36. Gp-49-023

37. Ft-0639322

38. C07496

39. 507d309

40. Q27106058

41. Carbamazepine 10,11-epoxide 1.0 Mg/ml In Acetonitrile

42. Carbamazepine 10,11-epoxide 100 Microg/ml In Acetonitrile

43. 1a,10b-dihydro-6h-dibenzo[b,f]oxireno[2,3-d]azepine-6-carboxamide

44. 3-(4-bromo-3,5-dimethyl-pyrazol-1-ylmethyl)-benzoicacid

45. 10,11-dihydro-5h-dibenz(b,f)azepine-5-carboxamide 10,11-epoxide

46. 1a,10b-dihydro-6h-dibenzo[b,f]oxireno[2,3-d]azepine-6-carboxamide #

47. 3-oxa-11-azatetracyclo[10.4.0.0^{2,4.0^{5,10]hexadeca-1(16),5,7,9,12,14-hexaene-11-carboxamide

48. Carbamazepine-10,11-epoxide Solution, 1.0 Mg/ml In Methanol, Ampule Of 1 Ml, Certified Reference Material

2.4 Create Date
2005-03-25
3 Chemical and Physical Properties
Molecular Weight 252.27 g/mol
Molecular Formula C15H12N2O2
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass252.089877630 g/mol
Monoisotopic Mass252.089877630 g/mol
Topological Polar Surface Area58.9 Ų
Heavy Atom Count19
Formal Charge0
Complexity358
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 ATC Code

N03AF01

S66 | EAWAGTPS | Parent-Transformation Product Pairs from Eawag | DOI:10.5281/zenodo.3754448


4.2 Metabolism/Metabolites

Carbamazepine 10,11-epoxide is a known human metabolite of carbamazepine.

S73 | METXBIODB | Metabolite Reaction Database from BioTransformer | DOI:10.5281/zenodo.4056560


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