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The Drug Ontology
Last uploaded:
December 20, 2024
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Preferred Name | O-desmethylvenlafaxine | |
Synonyms |
4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol 1-[2-(dimethylamino)-1-(4-hydroxyphenyl)ethyl]cyclohexanol desvenlafaxine |
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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. |
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ID |
http://purl.obolibrary.org/obo/CHEBI_83527 |
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alternative label |
4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol 1-[2-(dimethylamino)-1-(4-hydroxyphenyl)ethyl]cyclohexanol desvenlafaxine
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charge |
0
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database_cross_reference |
PMID:25188033 Reaxys:4234613 PMID:25086830 Wikipedia:Desvenlafaxine PMID:24502274 Drug_Central:4380 KEGG:D07793 PMID:24989434 HMDB:HMDB0015646 DrugBank:DB06700 CAS:93413-62-8 PMID:24493333
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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.
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formula |
C16H25NO2
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has characteristic |
http://purl.obolibrary.org/obo/CHEBI_49103 |
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has role |
http://purl.obolibrary.org/obo/CHEBI_49103 |
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has_obo_namespace |
chebi_ontology
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has_related_synonym |
4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol 1-[2-(dimethylamino)-1-(4-hydroxyphenyl)ethyl]cyclohexanol desvenlafaxine
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has_RxCUI |
734064
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id |
CHEBI:83527
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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
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inchikey |
KYYIDSXMWOZKMP-UHFFFAOYSA-N
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label |
O-desmethylvenlafaxine
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|
mass |
263.37520
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monoisotopicmass |
263.18853
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notation |
CHEBI:83527
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prefLabel |
O-desmethylvenlafaxine
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smiles |
CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
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subClassOf |
http://purl.obolibrary.org/obo/CHEBI_33853 |
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