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Chemical substance record

Venlafaxine

93413-69-5C17H27NO2277.408 g/mol
Organic/Inorganic Small MoleculeChEBI source record

A tertiary amino compound that is N,N-dimethylethanamine substituted at position 1 by a 1-hydroxycyclohexyl and 4-methoxyphenyl group. — ChEBI

Safety references

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Identity & molecular properties

Source-linked values
CAS number93413-69-5ChEBI ↗
Molecular formulaC17H27NO2ChEBI ↗
Molar mass277.408 g/molChEBI ↗
Monoisotopic mass277.20418 DaChEBI ↗
Formal charge0ChEBI ↗
ChEBI identifierCHEBI:9943ChEBI ↗

Cross-source molecular data

PubChem
Molar mass277.4 g/molPubChem ↗
Exact mass277.204179104 DaPubChem ↗
Computed XLogP2.9PubChem ↗
Topological polar surface area (Ų)32.7PubChem ↗
H-bond donors1PubChem ↗
H-bond acceptors3PubChem ↗
Rotatable bonds5PubChem ↗

PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.

Names & structural identifiers

Copy any identifier
venlafaxine
1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol
PNVNVHUZROJLTJ-UHFFFAOYSA-N
COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1
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

Names & synonyms

1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanolvenlafaxinavenlafaxinum

Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.

Classification & relationships

ChEBI ontology
cyclohexanolsChEBI parent class · 23480 ↗monomethoxybenzeneChEBI parent class · 25235 ↗tertiary alcoholChEBI parent class · 26878 ↗tertiary amino compoundChEBI parent class · 50996 ↗
alcoholetherorganic molecular entity

Roles recorded in ChEBI

antidepressantanalgesicadrenergic uptake inhibitorxenobioticserotonin uptake inhibitordopamine uptake inhibitorenvironmental contaminant

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass
Equivalent amount
0.0036048 mol

Uses 277.408 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions
C
Carbon · 17 atoms
73.61%
O
Oxygen · 2 atoms
11.53%
H
Hydrogen · 27 atoms
9.81%
N
Nitrogen · 1 atom
5.05%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations
Use of venlafaxine in children and adolescents: a review of current literature. ↗Depression and anxiety · 2000 · PMID 11098420
Two items on the Hamilton Depression rating scale are effective predictors of remission: comparison of selective serotonin reuptake inhibitors with the combined serotonin/norepinephrine reuptake inhibitor, venlafaxine. ↗International clinical psychopharmacology · 2002 Nov · PMID 12409680
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Sources & record history

Checked 27 Sep 2026
EMBL-EBI ChEBI · CHEBI:9943

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

NCBI PubChem · CID 5656 · retrieved 2026-09-27

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.

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