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Chemical Entities of Biological Interest Ontology
Last uploaded:
November 5, 2024
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| Preferred Name | Doxepin Hydrochloride | |
| Synonyms |
Sinequan Doxepin Hydrochloride |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_4711 |
|
| charge |
0
|
|
| database_cross_reference |
KEGG:D00814 CAS:1229-29-4
|
|
| formula |
C19H21NO.HCl C19H22ClNO
|
|
| has_exact_synonym |
Doxepin Hydrochloride
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
Sinequan
|
|
| id |
CHEBI:4711
|
|
| in_subset | ||
| 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
|
|
| label |
Doxepin Hydrochloride
|
|
| mass |
315.838
|
|
| monoisotopicmass |
315.13899
|
|
| notation |
CHEBI:4711
|
|
| prefLabel |
Doxepin Hydrochloride
|
|
| smiles |
Cl.C1OC=2C(\C(\C=3C1=CC=CC3)=C\CCN(C)C)=CC=CC2
|
|
| treeView | ||
| subClassOf |
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