Chemical substance record

Amoxicillin

26787-78-0C₁₆H₁₉N₃O₅S365.411 g/mol

Organic/Inorganic Small MoleculeChEBI source record

A penicillin in which the substituent at position 6 of the penam ring is a 2-amino-2-(4-hydroxyphenyl)acetamido group. — ChEBI

Safety references

Safety documents & references

Supplier matching matters

Find the safety document for your specific supplier, product number and grade.

Find a product-specific SDS

Search SDS PDFs Sigma-Aldrich Thermo Fisher

Safety guides and government classification records are not a manufacturer’s SDS. Match supplier, product number, concentration, physical form, region and revision before using a document.

Identity & molecular properties

Source-linked values

CAS number	26787-78-0	ChEBI ↗
Molecular formula	C₁₆H₁₉N₃O₅S	ChEBI ↗
Molar mass	365.411 g/mol	ChEBI ↗
Monoisotopic mass	365.10454 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:2676	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	365.4 g/mol	PubChem ↗
Exact mass	365.10454189 Da	PubChem ↗
Computed XLogP	-2	PubChem ↗
Topological polar surface area (Å²)	158	PubChem ↗
H-bond donors	4	PubChem ↗
H-bond acceptors	7	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

Copy any identifier

Source preferred name

amoxicillin

IUPAC name

6beta-[(2R)-2-amino-2-(4-hydroxyphenyl)acetamido]-2,2-dimethylpenam-3alpha-carboxylic acid

InChIKey

LSQZJLSUYDQPKJ-NJBDSQKTSA-N

SMILES

[H][C@]12SC(C)(C)[C@H](C(=O)O)N1C(=O)[C@H]2NC(=O)[C@H](N)c1ccc(O)cc1

InChI

InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1

Names & synonyms

6beta-[(2R)-2-amino-2-(4-hydroxyphenyl)acetamido]-2,2-dimethylpenam-3alpha-carboxylic acidAmolinAmopenixinamoxicilinaamoxicillineamoxicillinumAMPCClamoxylMoxal

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

Classification & relationships

ChEBI ontology

penicillinChEBI parent class · 17334 ↗penicillin allergenChEBI parent class · 88187 ↗

carboxylic acid organosulfur compound organic heterocyclic compound organic molecular entity

Roles recorded in ChEBI

antiviral agentantitubercular agentantimicrobial agentantibacterial agentantiinfective agentanalgesicantineoplastic agentantibacterial drugantimalarialanti-ulcer 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

0.00273664 mol

Uses 365.411 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 · 16 atoms

52.59%

O

Oxygen · 5 atoms

21.89%

N

Nitrogen · 3 atoms

11.50%

S

Sulfur · 1 atom

8.78%

H

Hydrogen · 19 atoms

5.24%

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

Reaction with, and fine structural recognition of polyamines by human IgE antibodies. ↗Molecular immunology · 2000 Apr · PMID 10930630

Degeneracy and additional alloreactivity of drug-specific human alpha beta(+) T cell clones. ↗International immunology · 2001 Jul · PMID 11431418

DE1942693 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.

GB1241844 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.

GB978178 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.

Search PubMed Google Scholar

Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:2676

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

Additional molecular descriptorsNCBI PubChem · CID 33613 · 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.

How this record was assembled Suggest a correction