Doxepin

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Systematic / IUPAC Name: (3Z)-3-(Dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethyl-1-propanamine

ID: Reference707

Other Names: 1-Propanamine, 3-dibenz[b,e]oxepin-11(6H)-ylidene-N,N-dimethyl-

Formula: C19H21NO

Class: Therapeutics/Prescription Drugs

Spectral Data

Doxepin 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 Q Exactive Orbitrap; Q Exactive Plus Orbitrap
No. of Spectral Trees 4
No. of Spectra 261
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/25/2015 12:14:01 PM
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Identificators

InChI InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3
InChI Key ODQWQRRAPPTVAG-UHFFFAOYSA-N
Canonical SMILES
CAS 1668195
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Other Names 1-Propanamine, 3-dibenz[b,e]oxepin-11(6H)-ylidene-N,N-dimethyl-

In Other Databases

HMDb HMDB15273
PubChem 3158
KEGG C06971
ChEMBL CHEMBL1628227
ChEBI CHEBI:4710
Wikipedia Doxepin
ChemSpider 3046