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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:142339 - (
Z
)-desmethyldoxepin
Main
ChEBI Ontology
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ChEBI Name
(
Z
)-desmethyldoxepin
ChEBI ID
CHEBI:142339
ChEBI ASCII Name
(Z)-desmethyldoxepin
Definition
The (
Z
)-isomer of desmethyldoxepin.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C18H19NO
Net Charge
0
Average Mass
265.350
Monoisotopic Mass
265.14666
InChI
InChI=1S/C18H19NO/c1-
19-
12-
6-
10-
16-
15-
8-
3-
2-
7-
14(15)
13-
20-
18-
11-
5-
4-
9-
17(16)
18/h2-
5,7-
11,19H,6,12-
13H2,1H3/b16-
10-
InChIKey
HVKCEFHNSNZIHO-YBEGLDIGSA-N
SMILES
O1CC=2C(/C(/C=3C1=CC=CC3)=C(/CCNC)\[H])=CC=CC2
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
)
Biological Role
(s):
drug metabolite
(via
desmethyldoxepin
)
Application
(s):
antidepressant
Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions.
(via
desmethyldoxepin
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(
Z
)-desmethyldoxepin (
CHEBI:142339
)
is a
desmethyldoxepin (
CHEBI:141547
)
IUPAC Name
(3
Z
)-3-(dibenzo[
b
,
e
]oxepin-11(6
H
)-ylidene)-
N
-methylpropan-1-amine
Synonyms
Sources
(
Z
)-desmethyldoxepin
ChEBI
(
Z
)-
N
-desmethyldoxepin
ChEBI
cis-desmethyldoxepin
ChEBI
cis
-
N
-desmethyldoxepin
ChemIDplus
Registry Numbers
Types
Sources
58534-46-6
CAS Registry Number
ChemIDplus
6483007
Reaxys Registry Number
Reaxys
Citations
Types
Sources
10497142
PubMed citation
Europe PMC
1607001
PubMed citation
Europe PMC
1981729
PubMed citation
Europe PMC
Last Modified
21 September 2018