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Chemical Entities of Biological Interest Ontology
Last uploaded:
December 1, 2024
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| Preferred Name | O-desmethylvenlafaxine | |
| Synonyms |
desvenlafaxine 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol 1-[2-(dimethylamino)-1-(4-hydroxyphenyl)ethyl]cyclohexanol |
|
| Definitions |
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. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_83527 |
|
| charge |
0
|
|
| database_cross_reference |
CAS:93413-62-8 Wikipedia:Desvenlafaxine PMID:24493333 PMID:25086830 PMID:25188033 Reaxys:4234613 PMID:24989434 KEGG:D07793 HMDB:HMDB0015646 DrugBank:DB06700 Drug_Central:4380 PMID:24502274
|
|
| 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.
|
|
| formula |
C16H25NO2
|
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_49103 |
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
desvenlafaxine 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol 1-[2-(dimethylamino)-1-(4-hydroxyphenyl)ethyl]cyclohexanol
|
|
| id |
CHEBI:83527
|
|
| in_subset | ||
| 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
|
|
| label |
O-desmethylvenlafaxine
|
|
| mass |
263.37520
|
|
| monoisotopicmass |
263.18853
|
|
| notation |
CHEBI:83527
|
|
| prefLabel |
O-desmethylvenlafaxine
|
|
| smiles |
CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
|
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_33853 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_33853 |
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