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ChEBI
> Main
CHEBI:4710 - doxepin
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ChEBI Ontology
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ChEBI Name
doxepin
ChEBI ID
CHEBI:4710
Definition
A dibenzooxepine that is 6,11-dihydrodibenzo[
b,e
]oxepine substituted by a 3-(dimethylamino)propylidene group at position 11. It is used as an antidepressant drug.
Stars
This entity has been manually annotated by the ChEBI Team.
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Read full article at Wikipedia
Formula
C19H21NO
Net Charge
0
Average Mass
279.37618
Monoisotopic Mass
279.16231
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
InChIKey
ODQWQRRAPPTVAG-UHFFFAOYSA-N
SMILES
[H]C(CCN(C)C)=C1c2ccccc2COc2ccccc12
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
Application
(s):
antidepressant
Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
doxepin (
CHEBI:4710
)
has role
antidepressant (
CHEBI:35469
)
doxepin (
CHEBI:4710
)
is a
dibenzooxepine (
CHEBI:38926
)
doxepin (
CHEBI:4710
)
is a
tertiary amino compound (
CHEBI:50996
)
Incoming
cis
-doxepin (
CHEBI:36691
)
is a
doxepin (
CHEBI:4710
)
IUPAC Name
3-dibenzo[
b
,
e
]oxepin-11(6
H
)-ylidene-
N
,
N
-dimethylpropan-1-amine
Synonyms
Sources
3-dibenz[
b
,
e
]oxepin-11(6
H
)-ylidene-
N
,
N
-dimethyl-1-propanamine
NIST Chemistry WebBook
Doxepin
KEGG COMPOUND
Manual Xrefs
Databases
956
DrugCentral
C06971
KEGG COMPOUND
D07875
KEGG DRUG
DB01142
DrugBank
Doxepin
Wikipedia
HMDB0015273
HMDB
LSM-2803
LINCS
View more database links
Registry Numbers
Types
Sources
1348849
Reaxys Registry Number
Reaxys
1668-19-5
CAS Registry Number
KEGG COMPOUND
1668-19-5
CAS Registry Number
NIST Chemistry WebBook
1668-19-5
CAS Registry Number
ChemIDplus
Citations
Types
Sources
15014590
PubMed citation
Europe PMC
19357442
PubMed citation
Europe PMC
Last Modified
22 February 2017