CHEBI | Classes | NFDI4Biodiversity BiodivPortal

ID	http://purl.obolibrary.org/obo/CHEBI_83527 http://purl.obolibrary.org/obo/CHEBI_83527 https://biodivportal.gfbio.org/ontologies/CHEBI/CHEBI_83527 Loading
Preferred name	O-desmethylvenlafaxine
Synonyms	4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol desvenlafaxine 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.

rdf:type	http://www.w3.org/2002/07/owl#Class Loading
rdfs:subClassOf	http://purl.obolibrary.org/obo/CHEBI_33853 Loading http://purl.obolibrary.org/obo/CHEBI_50996 Loading http://purl.obolibrary.org/obo/CHEBI_23480 Loading
rdfs:label	O-desmethylvenlafaxine
obo_purl:charge	0
obo_purl:formula	C16H25NO2
obo_purl: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
obo_purl:inchikey	KYYIDSXMWOZKMP-UHFFFAOYSA-N
obo_purl:mass	263.37520
obo_purl:monoisotopicmass	263.18853
obo_purl:smiles	CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
obo_purl:IAO_0000115	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.
oboinowl_gen:hasRelatedSynonym	4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol desvenlafaxine 1-[2-(dimethylamino)-1-(4-hydroxyphenyl)ethyl]cyclohexanol
oboinowl_gen:hasDbXref	CAS:93413-62-8 DrugBank:DB06700 Drug_Central:4380 HMDB:HMDB0015646 KEGG:D07793 PMID:24493333 PMID:24502274 PMID:24989434 PMID:25086830 PMID:25188033 Reaxys:4234613 Wikipedia:Desvenlafaxine See more See less
oboinowl_gen:hasOBONamespace	chebi_ontology
oboinowl_gen:id	CHEBI:83527
skos:notation	CHEBI:83527
oboinowl_gen:inSubset	http://purl.obolibrary.org/obo/chebi#3_STAR Loading
obo_purl:RO_0000087	http://purl.obolibrary.org/obo/CHEBI_83399 Loading http://purl.obolibrary.org/obo/CHEBI_35469 Loading http://purl.obolibrary.org/obo/CHEBI_49103 Loading

Subject	Author	Type	Created
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