CHEBI:4711 - Doxepin Hydrochloride

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name Doxepin Hydrochloride ChEBI ID CHEBI:4711 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formulae C19H21NO.HCl C19H22ClNO Net Charge 0 Average Mass 315.838 Monoisotopic Mass 315.13899 InChI InChI=1S/C19H21NO.ClH/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;1H/b17-11+; InChIKey MHNSPTUQQIYJOT-SJDTYFKWSA-N SMILES Cl.C1OC=2C(\C(\C=3C1=CC=CC3)=C\CCN(C)C)=CC=CC2 ChEBI Ontology Outgoing Doxepin Hydrochloride (CHEBI:4711) is a dibenzooxazepine (CHEBI:53802) Synonyms Sources Doxepin Hydrochloride KEGG COMPOUND Sinequan KEGG COMPOUND Manual Xref Database D00814 KEGG DRUG View more database links Registry Number Type Source 1229-29-4 CAS Registry Number KEGG COMPOUND Last Modified 06 March 2017