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Chemical substance record

Moclobemide

71320-77-9C13H17ClN2O2268.744 g/mol

A member of the class of benzamides that is benzamide substituted by a chloro group at position 4 and a 2-(morpholin-4-yl)ethyl group at the nitrogen atom. It acts as a reversible monoamine oxidase inhibitor and is used in the treatment of depression. — ChEBI

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Identity & molecular properties

Source-linked values
CAS number71320-77-9ChEBI ↗
Molecular formulaC13H17ClN2O2ChEBI ↗
Molar mass268.744 g/molChEBI ↗
Monoisotopic mass268.09786 DaChEBI ↗
Formal charge0ChEBI ↗
ChEBI identifierCHEBI:83531ChEBI ↗

Cross-source molecular data

PubChem
Molar mass268.74 g/molPubChem ↗
Exact mass268.0978555 DaPubChem ↗
Computed XLogP1.5PubChem ↗
Topological polar surface area (Ų)41.6PubChem ↗
H-bond donors1PubChem ↗
H-bond acceptors3PubChem ↗
Rotatable bonds4PubChem ↗

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

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moclobemide
4-chloro-N-[2-(morpholin-4-yl)ethyl]benzamide
YHXISWVBGDMDLQ-UHFFFAOYSA-N
O=C(NCCN1CCOCC1)c1ccc(Cl)cc1
InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)

Names & synonyms

4-chloro-N-[2-(morpholin-4-yl)ethyl]benzamidemoclobemidamoclobemidum

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

Classification & relationships

ChEBI ontology

Roles recorded in ChEBI

antidepressantanxiolytic drugantipsychotic agentxenobioticenvironmental 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
0.00372101 mol

Uses 268.744 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 · 13 atoms
58.10%
Cl
Chlorine · 1 atom
13.19%
O
Oxygen · 2 atoms
11.91%
N
Nitrogen · 2 atoms
10.42%
H
Hydrogen · 17 atoms
6.38%

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

Research & patent references

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Sources & record history

Checked 27 Sep 2026
EMBL-EBI ChEBI · CHEBI:83531

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

NCBI PubChem · CID 4235 · 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.