Chemical substance record

Nortriptyline

72-69-5C₁₉H₂₁N263.384 g/mol

Organic/Inorganic Small MoleculeChEBI source record

An organic tricyclic compound that is 10,11-dihydro-5H-dibenzo[a,d][7]annulene substituted by a 3-(methylamino)propylidene group at position 5. It is an active metabolite of amitriptyline. — ChEBI

Safety references

Safety documents & references

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Identity & molecular properties

Source-linked values

CAS number	72-69-5	ChEBI ↗
Molecular formula	C₁₉H₂₁N	ChEBI ↗
Molar mass	263.384 g/mol	ChEBI ↗
Monoisotopic mass	263.1674 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:7640	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	263.4 g/mol	PubChem ↗
Exact mass	263.167399674 Da	PubChem ↗
Computed XLogP	4.5	PubChem ↗
Topological polar surface area (Å²)	12	PubChem ↗
H-bond donors	1	PubChem ↗
H-bond acceptors	1	PubChem ↗
Rotatable bonds	3	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

nortriptyline

IUPAC name

3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N-methylpropan-1-amine

InChIKey

PHVGLTMQBUFIQQ-UHFFFAOYSA-N

SMILES

CNCCC=C1c2ccccc2CCc2ccccc21

InChI

InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3

Names & synonyms

3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N-methylpropan-1-aminenortriptylinanortriptylinum

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

Classification & relationships

ChEBI ontology

secondary amineChEBI parent class · 32863 ↗organic tricyclic compoundChEBI parent class · 51959 ↗

amine organic molecular entity

Roles recorded in ChEBI

antidepressantanxiolytic drugantipsychotic agentanalgesicantineoplastic agentadrenergic uptake inhibitordrug metaboliteantipsoriaticantispasmodic druggastrointestinal drug

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

0.00379674 mol

Uses 263.384 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 · 19 atoms

86.64%

H

Hydrogen · 21 atoms

8.04%

N

Nitrogen · 1 atom

5.32%

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

Comparison of the effects of antidepressants and their metabolites on reuptake of biogenic amines and on receptor binding. ↗Cellular and molecular neurobiology · 1999 Aug · PMID 10379421

Respiratory panic disorder subtype: acute and long-term response to nortriptyline, a noradrenergic tricyclic antidepressant. ↗Psychiatry research · 2003 Oct 15 · PMID 14561440

NL6408512 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.

US3442949 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.

US3922305 · 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:7640

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

Additional molecular descriptorsNCBI PubChem · CID 4543 · 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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