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ChEBI
> Main
CHEBI:83525 -
N
-desmethylvenlafaxine
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ChEBI Name
N
-desmethylvenlafaxine
ChEBI ID
CHEBI:83525
ChEBI ASCII Name
N-desmethylvenlafaxine
Definition
A monomethoxybenzene that is the
N
-desmethyl derivative of venlafaxine.
Stars
This entity has been manually annotated by the ChEBI Team.
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Molfile
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Molfile
Formula
C16H25NO2
Net Charge
0
Average Mass
263.37520
Monoisotopic Mass
263.18853
InChI
InChI=1S/C16H25NO2/c1-
17-
12-
15(16(18)
10-
4-
3-
5-
11-
16)
13-
6-
8-
14(19-
2)
9-
7-
13/h6-
9,15,17-
18H,3-
5,10-
12H2,1-
2H3
InChIKey
MKAFOJAJJMUXLW-UHFFFAOYSA-N
SMILES
CNCC(c1ccc(OC)cc1)C1(O)CCCCC1
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
marine xenobiotic metabolite
Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
N
-desmethylvenlafaxine (
CHEBI:83525
)
has role
drug metabolite (
CHEBI:49103
)
N
-desmethylvenlafaxine (
CHEBI:83525
)
has role
marine xenobiotic metabolite (
CHEBI:83399
)
N
-desmethylvenlafaxine (
CHEBI:83525
)
is a
cyclohexanols (
CHEBI:23480
)
N
-desmethylvenlafaxine (
CHEBI:83525
)
is a
monomethoxybenzene (
CHEBI:25235
)
N
-desmethylvenlafaxine (
CHEBI:83525
)
is a
secondary amino compound (
CHEBI:50995
)
IUPAC Name
1-[1-(4-methoxyphenyl)-2-(methylamino)ethyl]cyclohexanol
Synonym
Source
Norvenlafaxine
ChemIDplus
Registry Numbers
Types
Sources
149289-30-5
CAS Registry Number
ChemIDplus
4234609
Reaxys Registry Number
Reaxys
Citations
Types
Sources
20432045
PubMed citation
Europe PMC
24306328
PubMed citation
Europe PMC
25245581
PubMed citation
Europe PMC
Last Modified
18 November 2014