Chemical substance record

Ibogamine

481-87-8C₁₉H₂₄N₂280.415 g/mol

Organic/Inorganic Small MoleculeChEBI source record

A monoterpenoid indole alkaloid with formula C19H24N2. It is isolated from the flowering plant genus, Tabernaemontana and exhibits anti-addictive properties. — ChEBI

Safety references

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Identity & molecular properties

Source-linked values

CAS number	481-87-8	ChEBI ↗
Molecular formula	C₁₉H₂₄N₂	ChEBI ↗
Molar mass	280.415 g/mol	ChEBI ↗
Monoisotopic mass	280.19395 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:5853	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	280.4 g/mol	PubChem ↗
Exact mass	280.193948774 Da	PubChem ↗
Computed XLogP	3.9	PubChem ↗
Topological polar surface area (Å²)	19	PubChem ↗
H-bond donors	1	PubChem ↗
H-bond acceptors	1	PubChem ↗
Rotatable bonds	1	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

ibogamine

IUPAC name

ibogamine

InChIKey

LRLCVRYKAFDXKU-YGOSVGOTSA-N

SMILES

[H][C@@]12C[C@H](CC)[C@@]3([H])[C@@H](C1)c1nc4ccccc4c1CC[N@@]3C2

InChI

InChI=1S/C19H24N2/c1-2-13-9-12-10-16-18-15(7-8-21(11-12)19(13)16)14-5-3-4-6-17(14)20-18/h3-6,12-13,16,19-20H,2,7-11H2,1H3/t12-,13+,16+,19+/m1/s1

Classification & relationships

ChEBI ontology

organic heteropentacyclic compoundChEBI parent class · 38164 ↗indole alkaloid fundamental parentChEBI parent class · 38482 ↗tertiary amino compoundChEBI parent class · 50996 ↗monoterpenoid indole alkaloidChEBI parent class · 65323 ↗

organic heterocyclic compound organic molecular entity

Roles recorded in ChEBI

oneirogenEC 3.1.1.7 (acetylcholinesterase) inhibitorplant metabolite

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

0.00356614 mol

Uses 280.415 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

81.38%

N

Nitrogen · 2 atoms

9.99%

H

Hydrogen · 24 atoms

8.63%

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

Catalyzed asymmetric diels-alder reaction of benzoquinone. Total synthesis of (-)-ibogamine. ↗Organic letters · 2000 Jul 27 · PMID 10930287

Indole alkaloids from Tabernaemontana australis (Muell. Arg) Miers that inhibit acetylcholinesterase enzyme. ↗Bioorganic & medicinal chemistry · 2005 Jun 2 · PMID 15911323

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Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:5853

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

Additional molecular descriptorsNCBI PubChem · CID 100217 · 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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