Chemical substance record

Cyproheptadine

129-03-3C₂₁H₂₁N287.406 g/mol

Organic/Inorganic Small MoleculeChEBI source record

The product resulting from the formal oxidative coupling of position 5 of 5H-dibenzo[a,d]cycloheptene with position 4 of 1-methylpiperidine resulting in the formation of a double bond between the two fragments. It is a sedating antihistamine with antimuscarinic and calcium-channel blocking actions. It is used (particularly as the hydrochloride sesquihydrate) for the relief of allergic conditions including rhinitis, conjunctivitis due to inhalant allergens and foods, urticaria and angioedema, and in pruritic skin disorders. Unlike other antihistamines, it is also a seratonin receptor antagonist, making it useful in conditions such as vascular headache and anorexia. — ChEBI

Safety references

Safety documents & references

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Identity & molecular properties

Source-linked values

CAS number	129-03-3	ChEBI ↗
Molecular formula	C₂₁H₂₁N	ChEBI ↗
Molar mass	287.406 g/mol	ChEBI ↗
Monoisotopic mass	287.1674 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:4046	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	287.4 g/mol	PubChem ↗
Exact mass	287.167399674 Da	PubChem ↗
Computed XLogP	4.7	PubChem ↗
Topological polar surface area (Å²)	3.2	PubChem ↗
H-bond donors	0	PubChem ↗
H-bond acceptors	1	PubChem ↗
Rotatable bonds	0	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

cyproheptadine

IUPAC name

4-(5H-dibenzo[a,d][7]annulen-5-ylidene)-1-methylpiperidine

InChIKey

JJCFRYNCJDLXIK-UHFFFAOYSA-N

SMILES

CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1

InChI

InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3

Names & synonyms

4-(5H-dibenzo[a,d][7]annulen-5-ylidene)-1-methylpiperidine4-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-1-methylpiperidineciproheptadinacyproheptadinum

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

Classification & relationships

ChEBI ontology

piperidinesChEBI parent class · 26151 ↗tertiary amineChEBI parent class · 32876 ↗

amine organic heterocyclic compound organic molecular entity

Roles recorded in ChEBI

antiviral agentanalgesicH1-receptor antagonistserotonergic antagonistanti-allergic agentgastrointestinal drugantipruritic 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

0.0034794 mol

Uses 287.406 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 · 21 atoms

87.76%

H

Hydrogen · 21 atoms

7.37%

N

Nitrogen · 1 atom

4.87%

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

First pharmacophoric hypothesis for 5-HT7 antagonism. ↗Bioorganic & medicinal chemistry letters · 2000 May 15 · PMID 10843226

US3014911 · 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:4046

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

Additional molecular descriptorsNCBI PubChem · CID 2913 · 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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