Carbamazepine 10,11-epoxide

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Systematic / IUPAC Name: 1a,10b-Dihydro-6H-dibenzo[b,f]oxireno[d]azepine-6-carboxamide

ID: Reference1006

Other Names: 6H-Dibenz[b,f]oxireno[d]azepine-6-carboxamide, 1a,10b-dihydro-;
1a,10b-Dihdyro-6H-dibenzo[b,f]oxireno[d]azepine-6-carboxamide;
Carbamazepine epoxide;
10,11-Epoxycarbamazepine;
10,11-Dihydro-10,11-epoxycarbamazepine

Formula: C15H12N2O2

Class: Therapeutics/Prescription Drugs

Spectral Data

Carbamazepine 10,11-epoxide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments LTQ Orbitrap XL; Q Exactive Orbitrap; Q Exactive Plus Orbitrap
No. of Spectral Trees 3
No. of Spectra 182
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 12/17/2014 9:54:45 AM
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Identificators

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)
InChI Key ZRWWEEVEIOGMMT-UHFFFAOYSA-N
Canonical SMILES C1=CC=C2C(=C1)C3C(O3)C4=CC=CC=C4N2C(=O)N
CAS 36507309
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Other Names 6H-Dibenz[b,f]oxireno[d]azepine-6-carboxamide, 1a,10b-dihydro-;
1a,10b-Dihdyro-6H-dibenzo[b,f]oxireno[d]azepine-6-carboxamide;
Carbamazepine epoxide;
10,11-Epoxycarbamazepine;
10,11-Dihydro-10,11-epoxycarbamazepine

In Other Databases

PubChem 2555
KEGG C07496
ChEMBL CHEMBL1258
ChemIDPlus 036507309
ChemSpider 2458