Chemical substance record

Trimipramine

739-71-9C₂₀H₂₆N₂294.442 g/mol

Organic/Inorganic Small MoleculeChEBI source record

A dibenzoazepine that is 10,11-dihydro-5H-dibenzo[b,f]azepine substituted by a 3-(dimethylamino)-2-methylpropyl group at the nitrogen atom. It is used as an antidepressant. — ChEBI

Safety references

Safety documents & references

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Identity & molecular properties

Source-linked values

CAS number	739-71-9	ChEBI ↗
Molecular formula	C₂₀H₂₆N₂	ChEBI ↗
Molar mass	294.442 g/mol	ChEBI ↗
Monoisotopic mass	294.2096 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:9738	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	294.4 g/mol	PubChem ↗
Exact mass	294.209598838 Da	PubChem ↗
Computed XLogP	5.8	PubChem ↗
Topological polar surface area (Å²)	6.5	PubChem ↗
H-bond donors	0	PubChem ↗
H-bond acceptors	2	PubChem ↗
Rotatable bonds	4	PubChem ↗

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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Source preferred name

trimipramine

IUPAC name

3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N,2-trimethylpropan-1-amine

InChIKey

ZSCDBOWYZJWBIY-UHFFFAOYSA-N

SMILES

CC(CN(C)C)CN1c2ccccc2CCc2ccccc21

InChI

InChI=1S/C20H26N2/c1-16(14-21(2)3)15-22-19-10-6-4-8-17(19)12-13-18-9-5-7-11-20(18)22/h4-11,16H,12-15H2,1-3H3

Names & synonyms

3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N,2-trimethylpropan-1-amine

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

Classification & relationships

ChEBI ontology

dibenzoazepineChEBI parent class · 47804 ↗tertiary amino compoundChEBI parent class · 50996 ↗

organic heterocyclic compound organic molecular entity

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

Amount

Input unit

Equivalent amount

0.00339625 mol

Uses 294.442 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 · 20 atoms

81.58%

N

Nitrogen · 2 atoms

9.51%

H

Hydrogen · 26 atoms

8.90%

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

Patterns of toxicity and factors influencing severity in acute adult trimipramine poisoning. ↗British journal of clinical pharmacology · 2013 Jan · PMID 22642681

High performance liquid chromatographic determination of ultra traces of two tricyclic antidepressant drugs imipramine and trimipramine in urine samples after their dispersive liquid-liquid microextraction coupled with response surface optimization. ↗Journal of pharmaceutical and biomedical analysis · 2014 Nov · PMID 25178259

CN103893187 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.

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Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:9738

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

Additional molecular descriptorsNCBI PubChem · CID 5584 · 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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