Chemical substance record

Rasagiline

136236-51-6C₁₂H₁₃N171.243 g/mol

Organic/Inorganic Small MoleculeChEBI source record

An indane that consists of 1-aminoindane bearing an N-propargyl substituent. A selective, irreversible monoamine oxidase-B inhibitor. — ChEBI

Safety references

Safety documents & references

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Identity & molecular properties

Source-linked values

CAS number	136236-51-6	ChEBI ↗
Molecular formula	C₁₂H₁₃N	ChEBI ↗
Molar mass	171.243 g/mol	ChEBI ↗
Monoisotopic mass	171.1048 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:63620	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	171.24 g/mol	PubChem ↗
Exact mass	171.104799419 Da	PubChem ↗
Computed XLogP	1.8	PubChem ↗
Topological polar surface area (Å²)	12	PubChem ↗
H-bond donors	1	PubChem ↗
H-bond acceptors	1	PubChem ↗
Rotatable bonds	2	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

rasagiline

IUPAC name

(1R)-N-(prop-2-yn-1-yl)indan-1-amine

InChIKey

RUOKEQAAGRXIBM-GFCCVEGCSA-N

SMILES

C#CCN[C@@H]1CCc2ccccc21

InChI

InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m1/s1

Names & synonyms

(1R)-N-(prop-2-yn-1-yl)indan-1-amine

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 ↗indanesChEBI parent class · 46940 ↗terminal acetylenic compoundChEBI parent class · 73477 ↗

amine organic molecular entity

Roles recorded in ChEBI

EC 1.4.3.4 (monoamine oxidase) inhibitorantiparkinson drugneuroprotective agent

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

0.00583965 mol

Uses 171.243 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 · 12 atoms

84.17%

N

Nitrogen · 1 atom

8.18%

H

Hydrogen · 13 atoms

7.65%

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

Rasagiline-induced delay of retinal ganglion cell death in experimental glaucoma in rats. ↗Journal of glaucoma · 2011 Jun-Jul · PMID 20577110

A double-blind, delayed-start trial of rasagiline in Parkinson's disease (the ADAGIO study): prespecified and post-hoc analyses of the need for additional therapies, changes in UPDRS scores, and non-motor outcomes. ↗The Lancet. Neurology · 2011 May · PMID 21482191

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Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:63620

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

Additional molecular descriptorsNCBI PubChem · CID 3052776 · 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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