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

1 2D Structure

2D Structure

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 Formula	C₁₅H₁₂N₂O₂
Molecular Weight	252.27 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	252.089877630 g/mol
Monoisotopic Mass	252.089877630 g/mol
Topological Polar Surface Area	58.9 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	358
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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

CAS 36507-30-9

CAS 36507-30-9

CHEMISTRY

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