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ChEBI
> Main
CHEBI:83446 -
N
,
N
-didesmethylvenlafaxine
Main
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ChEBI Name
N
,
N
-didesmethylvenlafaxine
ChEBI ID
CHEBI:83446
ChEBI ASCII Name
N,N-didesmethylvenlafaxine
Definition
A monomethoxybenzene that is the
N
,
N
-didesmethyl derivative of venlafaxine.
Stars
This entity has been manually annotated by the ChEBI Team.
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Molfile
Formula
C15H23NO2
Net Charge
0
Average Mass
249.34860
Monoisotopic Mass
249.17288
InChI
InChI=1S/C15H23NO2/c1-18-13-7-5-12(6-8-13)14(11-16)15(17)9-3-2-4-10-15/h5-8,14,17H,2-4,9-11,16H2,1H3
InChIKey
SUQHIQRIIBKNOR-UHFFFAOYSA-N
SMILES
COc1ccc(cc1)C(CN)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
,
N
-didesmethylvenlafaxine (
CHEBI:83446
)
has role
drug metabolite (
CHEBI:49103
)
N
,
N
-didesmethylvenlafaxine (
CHEBI:83446
)
has role
marine xenobiotic metabolite (
CHEBI:83399
)
N
,
N
-didesmethylvenlafaxine (
CHEBI:83446
)
is a
amino alcohol (
CHEBI:22478
)
N
,
N
-didesmethylvenlafaxine (
CHEBI:83446
)
is a
cyclohexanols (
CHEBI:23480
)
N
,
N
-didesmethylvenlafaxine (
CHEBI:83446
)
is a
monomethoxybenzene (
CHEBI:25235
)
N
,
N
-didesmethylvenlafaxine (
CHEBI:83446
)
is a
primary amino compound (
CHEBI:50994
)
IUPAC Name
1-[2-amino-1-(4-methoxyphenyl)ethyl]cyclohexanol
Registry Numbers
Types
Sources
4233627
Reaxys Registry Number
Reaxys
93413-77-5
CAS Registry Number
ChemIDplus
Last Modified
18 November 2014
General Comments
2014-10-29
Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag
2014-10-29
Suggested Classification: ISA:methoxybenzene(CHEBI:51683); ISA:aromatic ether(CHEBI:35618); ISA:aralkylamine(CHEBI:18000); ISA:cyclohexanols(CHEBI:23480); ISA:tertiary alcohol(CHEBI:26878); ISA:amino alcohol(CHEBI:22478); ISA:organic hydroxy compound(CHEBI:33822); ISA:alkylamine(CHEBI:13759);
2014-10-29
Metabolite of Venlafaxin