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Neuroscience Information Framework (NIF) Standard Ontology
| Preferred Name | venlafaxine | |
| Synonyms |
Elafax venlafaxine venlafaxinum venlafaxina Venlafaxine 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol |
|
| Definitions |
A tertiary amino compound that is N,N-dimethylethanamine substituted at position 1 by a 1-hydroxycyclohexyl and 4-methoxyphenyl group. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_9943 |
|
| alternative label |
Elafax venlafaxine venlafaxinum venlafaxina Venlafaxine 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol
|
|
| charge |
0
|
|
| database_cross_reference |
PMID:12409680 Beilstein:4234848 PMID:18321472 LINCS:LSM-1616 KEGG:D08670 CAS:93413-69-5 PMID:11098420 DrugBank:DB00285 Drug_Central:2813 HMDB:HMDB0005016 Reaxys:4234848 KEGG:C07187 Wikipedia:Venlafaxine
|
|
| definition |
A tertiary amino compound that is N,N-dimethylethanamine substituted at position 1 by a 1-hydroxycyclohexyl and 4-methoxyphenyl group.
|
|
| formula |
C17H27NO2
|
|
| has characteristic |
http://purl.obolibrary.org/obo/CHEBI_51039 http://purl.obolibrary.org/obo/CHEBI_50949 http://purl.obolibrary.org/obo/CHEBI_35703 http://purl.obolibrary.org/obo/CHEBI_35480 http://purl.obolibrary.org/obo/CHEBI_35640 |
|
| has exact synonym |
Venlafaxine 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol
|
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_51039 http://purl.obolibrary.org/obo/CHEBI_50949 http://purl.obolibrary.org/obo/CHEBI_35703 http://purl.obolibrary.org/obo/CHEBI_35480 http://purl.obolibrary.org/obo/CHEBI_35640 |
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
Elafax venlafaxine venlafaxinum venlafaxina
|
|
| id |
CHEBI:9943
|
|
| in_subset | ||
| inchi |
InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3
|
|
| inchikey |
PNVNVHUZROJLTJ-UHFFFAOYSA-N
|
|
| label |
venlafaxine
|
|
| mass |
277.40182
|
|
| monoisotopicmass |
277.20418
|
|
| notation |
CHEBI:9943
|
|
| note |
A tertiary amino compound that is N,N-dimethylethanamine substituted at position 1 by a 1-hydroxycyclohexyl and 4-methoxyphenyl group.
|
|
| preferred label |
venlafaxine
|
|
| prefLabel |
venlafaxine
|
|
| smiles |
COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1
|
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_25235 http://purl.obolibrary.org/obo/CHEBI_26878 |
| Delete | Subject | Author | Type | Created |
|---|---|---|---|---|
| No notes to display |