Preferred Name |
venlafaxine |
|
Synonyms |
Venlafaxine 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol venlafaxinum venlafaxina venlafaxine Elafax |
|
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 |
|
charge |
0 |
|
database_cross_reference |
Beilstein:4234848 Reaxys:4234848 HMDB:HMDB0005016 Wikipedia:Venlafaxine Drug_Central:2813 PMID:12409680 CAS:93413-69-5 DrugBank:DB00285 LINCS:LSM-1616 KEGG:C07187 PMID:18321472 KEGG:D08670 PMID:11098420 |
|
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 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_exact_synonym |
Venlafaxine 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol |
|
has_obo_namespace |
chebi_ontology |
|
has_related_synonym |
venlafaxinum venlafaxina venlafaxine Elafax |
|
has_RxCUI |
39786 |
|
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 |
|
is_bearer_of | ||
label |
venlafaxine |
|
mass |
277.40182 |
|
monoisotopicmass |
277.20418 |
|
notation |
CHEBI:9943 |
|
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 |