Home/Chemicals/89-57-6

Chemical substance record

Mesalamine

89-57-6C₇H₇NO₃153.137 g/mol

Organic/Inorganic Small MoleculeChEBI source record

A monohydroxybenzoic acid that is salicylic acid substituted by an amino group at the 5-position. — ChEBI

Safety references

Safety documents & references

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Identity & molecular properties

Source-linked values

CAS number	89-57-6	ChEBI ↗
Molecular formula	C₇H₇NO₃	ChEBI ↗
Molar mass	153.137 g/mol	ChEBI ↗
Monoisotopic mass	153.04259 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:6775	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	153.14 g/mol	PubChem ↗
Exact mass	153.042593085 Da	PubChem ↗
Computed XLogP	1.3	PubChem ↗
Topological polar surface area (Å²)	83.6	PubChem ↗
H-bond donors	3	PubChem ↗
H-bond acceptors	4	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

mesalamine

IUPAC name

5-amino-2-hydroxybenzoic acid

InChIKey

KBOPZPXVLCULAV-UHFFFAOYSA-N

SMILES

Nc1ccc(O)c(C(=O)O)c1

InChI

InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)

Names & synonyms

5-amino-2-hydroxybenzoic acidAsacolAsacolitinCanasaClaversalFisalamineIialdaLixacolmesalazinamesalazinemesalazinumMesasal

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 ↗monohydroxybenzoic acidChEBI parent class · 25389 ↗amino acidChEBI parent class · 33709 ↗phenolsChEBI parent class · 33853 ↗aromatic amineChEBI parent class · 33860 ↗

carboxylic acid amino acid phenols organic molecular entity

Roles recorded in ChEBI

non-steroidal anti-inflammatory drugantineoplastic agentantispasmodic druganti-HIV agentanti-inflammatory 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

0.0065301 mol

Uses 153.137 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 · 7 atoms

54.90%

O

Oxygen · 3 atoms

31.34%

N

Nitrogen · 1 atom

9.15%

H

Hydrogen · 7 atoms

4.61%

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

Mesalamine for the prevention of postoperative recurrence: is nearly there the same as being there? ↗Gastroenterology · 2000 Feb · PMID 10648473

Development of a novel tablet-in-capsule formulation of mesalamine for inflammatory bowel disease. ↗Pharmaceutical development and technology · 2013 Mar-Apr · PMID 22304735

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Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:6775

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

Additional molecular descriptorsNCBI PubChem · CID 4075 · 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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