Chemical substance record

Etodolac

41340-25-4C₁₇H₂₁NO₃287.359 g/mol

Organic/Inorganic Small MoleculeChEBI source record

A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl moiety. A preferential inhibitor of cyclo-oxygenase 2 and non-steroidal anti-inflammatory, it is used for the treatment of rheumatoid arthritis and osteoarthritis, and for the alleviation of postoperative pain. Administered as the racemate, only the (S)-enantiomer is active. — ChEBI

Safety references

Safety documents & references

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Identity & molecular properties

Source-linked values

CAS number	41340-25-4	ChEBI ↗
Molecular formula	C₁₇H₂₁NO₃	ChEBI ↗
Molar mass	287.359 g/mol	ChEBI ↗
Monoisotopic mass	287.15214 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:4909	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	287.35 g/mol	PubChem ↗
Exact mass	287.15214353 Da	PubChem ↗
Computed XLogP	2.8	PubChem ↗
Topological polar surface area (Å²)	62.3	PubChem ↗
H-bond donors	2	PubChem ↗
H-bond acceptors	3	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

etodolac

IUPAC name

(1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetic acid

InChIKey

NNYBQONXHNTVIJ-UHFFFAOYSA-N

SMILES

CCc1cccc2c3c(nc12)C(CC)(CC(=O)O)OCC3

InChI

InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20)

Names & synonyms

(1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetic acidetodolacoetodolacum

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

Classification & relationships

ChEBI ontology

monocarboxylic acidChEBI parent class · 25384 ↗organic heterotricyclic compoundChEBI parent class · 26979 ↗

carboxylic acid organic heterocyclic compound organic molecular entity

Roles recorded in ChEBI

non-steroidal anti-inflammatory druganalgesicnon-narcotic analgesicantipyreticantineoplastic agentantirheumatic drugcyclooxygenase 2 inhibitor

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

0.00347997 mol

Uses 287.359 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 · 17 atoms

71.06%

O

Oxygen · 3 atoms

16.70%

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

Novel cyclooxygenase-1 inhibitors discovered using affinity fingerprints. ↗Journal of medicinal chemistry · 2004 Sep 23 · PMID 15369391

Synthesis and biological evaluation of 4,6-diethyl-1,3,4,5-tetrahydropyrano[4,3-b]indole-4-acetic acid, an isomer of etodolac. ↗Journal of medicinal chemistry · 1989 Sep · PMID 2527995

DE2301525 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.

US3939178 · 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:4909

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

Additional molecular descriptorsNCBI PubChem · CID 3308 · 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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