Molecular Identity
Venlafaxine
1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
PubChem CID: 5656
Venlafaxine is a tertiary amino compound that is N,N-dimethylethanamine substituted at position 1 by a 1-hydroxycyclohexyl and 4-methoxyphenyl group. It has a role as an antidepressant, an analgesic, an adrenergic uptake inhibitor, a xenobiotic, a serotonin uptake inhibitor, a dopamine uptake inhibitor and an environmental contaminant. It is a member of cyclohexanols, a monomethoxybenzene, a tertiary alcohol and a tertiary amino compound.
2D Structure
Properties
C17H27NO2
Molecular Formula
277.40
Molecular Weight
g/mol
277.2042
Exact Mass
Da
2.9
XLogP
Drug-like (Lipinski: < 5)
32.7
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
3
H-Bond Acceptors
279
Complexity
SMILES
Canonical SMILES
SMILES: CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)OIsomeric SMILES
SMILES: CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)OSynonyms(20)
venlafaxine93413-69-5ElafaxVenlafaxinaTrevilorvelafaxVenlafaxinumEfectinVenlafexine1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-olKanghongVenlorEfexorDTXSID6023737GRZ5RCB1QG
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Venlafaxine
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