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Environmental conditions, treatments and exposures ontology
Preferred Name | venlafaxine | |
Synonyms |
venlafaxinum venlafaxina venlafaxine Elafax Venlafaxine 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol |
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Definitions |
A tertiary amino compound that is N,N-dimethylethanamine substituted at position 1 by a 1-hydroxycyclohexyl and 4-methoxyphenyl group. |
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ID |
http://purl.obolibrary.org/obo/CHEBI_9943 |
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bearer of |
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 |
|
charge |
0
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|
formula |
C17H27NO2
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has exact synonym |
Venlafaxine 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol
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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 |
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hasOBONamespace |
chebi_ontology
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hasRelatedSynonym |
venlafaxinum venlafaxina venlafaxine Elafax
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id |
CHEBI:9943
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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
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inchikey |
PNVNVHUZROJLTJ-UHFFFAOYSA-N
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inSubset | ||
label |
venlafaxine
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mass |
277.40182
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monoisotopicmass |
277.20418
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|
notation |
CHEBI:9943
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|
prefLabel |
venlafaxine
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|
smiles |
COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1
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textual definition |
A tertiary amino compound that is N,N-dimethylethanamine substituted at position 1 by a 1-hydroxycyclohexyl and 4-methoxyphenyl group.
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xRef |
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
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subClassOf |
http://purl.obolibrary.org/obo/CHEBI_25235 http://purl.obolibrary.org/obo/CHEBI_26878 |
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