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Chemical substance record

Tizanidine

51322-75-9C9H8ClN5S253.718 g/mol
Organic/Inorganic Small MoleculeChEBI source record

2,1,3-Benzothiadiazole substituted at C-4 by a Δ1-imidazolin-2-ylamino group and at C-4 by a chloro group. It is an agonist at α2-adrenergic receptor sites. — ChEBI

Safety references

Safety documents & references

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Identity & molecular properties

Source-linked values
CAS number51322-75-9ChEBI ↗
Molecular formulaC9H8ClN5SChEBI ↗
Molar mass253.718 g/molChEBI ↗
Monoisotopic mass253.01889 DaChEBI ↗
Formal charge0ChEBI ↗
ChEBI identifierCHEBI:63629ChEBI ↗

Cross-source molecular data

PubChem
Molar mass253.71 g/molPubChem ↗
Exact mass253.0188941 DaPubChem ↗
Computed XLogP1.1PubChem ↗
Topological polar surface area (Ų)90.4PubChem ↗
H-bond donors2PubChem ↗
H-bond acceptors4PubChem ↗
Rotatable bonds2PubChem ↗

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
tizanidine
5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine
XFYDIVBRZNQMJC-UHFFFAOYSA-N
Clc1ccc2nsnc2c1NC1=NCCN1
InChI=1S/C9H8ClN5S/c10-5-1-2-6-8(15-16-14-6)7(5)13-9-11-3-4-12-9/h1-2H,3-4H2,(H2,11,12,13)

Names & synonyms

5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-aminetizanidinatizanidinum

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

Classification & relationships

ChEBI ontology
imidazolesChEBI parent class · 24780 ↗benzothiadiazoleChEBI parent class · 48864 ↗
organosulfur compoundorganic heterocyclic compoundorganic molecular entity

Roles recorded in ChEBI

analgesicalpha-adrenergic agonistantineoplastic agentmuscle 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
Equivalent amount
0.00394138 mol

Uses 253.718 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 · 9 atoms
42.61%
N
Nitrogen · 5 atoms
27.60%
Cl
Chlorine · 1 atom
13.97%
S
Sulfur · 1 atom
12.64%
H
Hydrogen · 8 atoms
3.18%

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
Tizanidine (Zanaflex): a muscle relaxant that may prolong the QT interval by blocking IKr. ↗Journal of cardiovascular pharmacology and therapeutics · 2012 Mar · PMID 21317414
Tizanidine for alcohol withdrawal treatment. ↗Medical hypotheses · 2011 Oct · PMID 21733633
US3843668 · 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
EMBL-EBI ChEBI · CHEBI:63629

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

NCBI PubChem · CID 5487 · 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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