Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:83527 -
O
-desmethylvenlafaxine
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
O
-desmethylvenlafaxine
ChEBI ID
CHEBI:83527
ChEBI ASCII Name
O-desmethylvenlafaxine
Definition
A tertiary amino compound that is
N
,
N
-dimethylethanamine substituted at position 1 by a 1-hydroxycyclohexyl and 4-hydroxyphenyl group. It is a metabolite of the drug venlafaxine.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
more structures >>
Molfile
Wikipedia
License
Read full article at Wikipedia
Formula
C16H25NO2
Net Charge
0
Average Mass
263.37520
Monoisotopic Mass
263.18853
InChI
InChI=1S/C16H25NO2/c1-
17(2)
12-
15(13-
6-
8-
14(18)
9-
7-
13)
16(19)
10-
4-
3-
5-
11-
16/h6-
9,15,18-
19H,3-
5,10-
12H2,1-
2H3
InChIKey
KYYIDSXMWOZKMP-UHFFFAOYSA-N
SMILES
CN(C)CC(c1ccc(O)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.
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
O
-desmethylvenlafaxine (
CHEBI:83527
)
has role
antidepressant (
CHEBI:35469
)
O
-desmethylvenlafaxine (
CHEBI:83527
)
has role
drug metabolite (
CHEBI:49103
)
O
-desmethylvenlafaxine (
CHEBI:83527
)
has role
marine xenobiotic metabolite (
CHEBI:83399
)
O
-desmethylvenlafaxine (
CHEBI:83527
)
is a
cyclohexanols (
CHEBI:23480
)
O
-desmethylvenlafaxine (
CHEBI:83527
)
is a
phenols (
CHEBI:33853
)
O
-desmethylvenlafaxine (
CHEBI:83527
)
is a
tertiary amino compound (
CHEBI:50996
)
INN
Source
desvenlafaxine
ChemIDplus
Synonyms
Sources
1-[2-(dimethylamino)-1-(4-hydroxyphenyl)ethyl]cyclohexanol
ChEBI
4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol
ChEBI
Manual Xrefs
Databases
4380
DrugCentral
D07793
KEGG DRUG
DB06700
DrugBank
Desvenlafaxine
Wikipedia
HMDB0015646
HMDB
View more database links
Registry Numbers
Types
Sources
4234613
Reaxys Registry Number
Reaxys
93413-62-8
CAS Registry Number
ChemIDplus
Citations
Types
Sources
24493333
PubMed citation
Europe PMC
24502274
PubMed citation
Europe PMC
24989434
PubMed citation
Europe PMC
25086830
PubMed citation
Europe PMC
25188033
PubMed citation
Europe PMC
Last Modified
22 February 2017