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    Chemistry

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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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