Chemical substance record

Xylazine

7361-61-7C₁₂H₁₆N₂S220.341 g/mol

Organic/Inorganic Small MoleculeChEBI source record

A methyl benzene that is 1,3-dimethylbenzene which is substituted by a 5,6-dihydro-4H-1,3-thiazin-2-ylnitrilo group at position 2. It is an α2 adrenergic receptor agonist and frequently used in veterinary medicine as an emetic and sedative with analgesic and muscle relaxant properties. — ChEBI

Safety references

Safety documents & references

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Identity & molecular properties

Source-linked values

CAS number	7361-61-7	ChEBI ↗
Molecular formula	C₁₂H₁₆N₂S	ChEBI ↗
Molar mass	220.341 g/mol	ChEBI ↗
Monoisotopic mass	220.10342 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:92386	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	220.34 g/mol	PubChem ↗
Exact mass	220.10341969 Da	PubChem ↗
Computed XLogP	2.8	PubChem ↗
Topological polar surface area (Å²)	49.7	PubChem ↗
H-bond donors	1	PubChem ↗
H-bond acceptors	2	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

xylazine

IUPAC name

N-(2,6-dimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

InChIKey

BPICBUSOMSTKRF-UHFFFAOYSA-N

SMILES

Cc1cccc(C)c1NC1=NCCCS1

InChI

InChI=1S/C12H16N2S/c1-9-5-3-6-10(2)11(9)14-12-13-7-4-8-15-12/h3,5-6H,4,7-8H2,1-2H3,(H,13,14)

Names & synonyms

ChanazineN-(2,6-dimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amineRompunxilazinaxylazinum

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

Classification & relationships

ChEBI ontology

benzenesChEBI parent class · 22712 ↗1,3-thiazineChEBI parent class · 46975 ↗secondary amino compoundChEBI parent class · 50995 ↗

organosulfur compound organic heterocyclic compound organic molecular entity

Roles recorded in ChEBI

emeticanalgesicalpha-adrenergic agonistsedativemuscle relaxant

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

0.00453842 mol

Uses 220.341 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

65.41%

S

Sulfur · 1 atom

14.55%

N

Nitrogen · 2 atoms

12.71%

H

Hydrogen · 16 atoms

7.32%

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

Xylazine Activates Adenosine Monophosphate-Activated Protein Kinase Pathway in the Central Nervous System of Rats. ↗PloS one · 2016 · PMID 27049320

Re-evaluation of the pharmacokinetics of xylazine administered to Thoroughbred horses. ↗Journal of veterinary pharmacology and therapeutics · 2020 Jan · PMID 31652007

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Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:92386

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

Additional molecular descriptorsNCBI PubChem · CID 5707 · 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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