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51322-75-9

Basic Information
CAS No.: 51322-75-9
Name: Tizanidine
Article Data: 7
Molecular Structure:
Molecular Structure of 51322-75-9 (Tizanidine)
Formula: C9H8ClN5S
Molecular Weight: 253.715
Synonyms: 5-Chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazole-4-amine; 4-Chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-8-thia-7,9-diazabicyclo[4.3.0]nona-2,4,6,9-tetraen-5-amine;
Density: 1.821 g/cm3
Melting Point: 221-223°
Boiling Point: 391.2 °C at 760 mmHg
Flash Point: 190.4 °C
Appearance: White Solid
Hazard Symbols: HarmfulXn
Risk Codes: 22-36/37/38
Safety: 26-36
PSA: 90.44000
LogP: 2.35520
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Chemistry

IUPAC Name: 6-Chloro-N-(4,:5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-7-amine 
Following is the structure of 2,1,3-Benzothiadiazol-4-amine,5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)- (CAS NO.51322-75-9):
                           
Empirical Formula: C9H8ClN5S
Molecular Weight: 253.7113 g/mol
Solubility: H2O: ~29 mg/mL
Molar Refractivity: 64.05 cm3
Molar Volume: 139.3 cm3
Density: 1.82 g/cm3
Flash Point: 190.4 °C
Melting Point: 221 - 223 °C
Index of Refraction: 1.884
Surface Tension: 78.3 dyne/cm
Enthalpy of Vaporization: 64.07 kJ/mol
Boiling Point: 391.2 °C at 760 mmHg
Vapour Pressure: 2.51E-06 mmHg at 25 °C
Product Categories of 2,1,3-Benzothiadiazol-4-amine,5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)- (CAS NO.51322-75-9): Tizanidine
Appearance of 2,1,3-Benzothiadiazol-4-amine,5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)- (CAS NO.51322-75-9): white solid
Canonical SMILES: C1CN=C(N1)NC2=C(C=CC3=NSN=C32)Cl
InChI: 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)
InChIKey: XFYDIVBRZNQMJC-UHFFFAOYSA-N

Uses

 2,1,3-Benzothiadiazol-4-amine,5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)- (CAS NO.51322-75-9) can be used as skeletal muscle relaxant.

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 235mg/kg (235mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
BEHAVIORAL: ATAXIA
SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Arzneimittel-Forschung. Drug Research. Vol. 30, Pg. 793, 1980.
rat LD50 oral 600mg/kg (600mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
BEHAVIORAL: ATAXIA
SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Arzneimittel-Forschung. Drug Research. Vol. 30, Pg. 793, 1980.

Safety Profile

Hazard Codes: HarmfulXn
Risk Statements: 22-36/37/38 
R22:Harmful if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
WGK Germany: 3
RTECS: DK9910000

Specification

 2,1,3-Benzothiadiazol-4-amine,5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)- , its cas register number is 51322-75-9. It also can be called 5-Chloro-4-(2-imidazolin-2-ylamino)-2,1,3-benzothiadiazole ; Sirdalud ; Ternelin ; Tizanidina ; Tizanidine ; and Tizanidinum . Its classification code are Adrenergic Agents; Adrenergic Agonists; Adrenergic alpha-agonists; Analgesics; Anticonvulsants; Autonomic Agents; Central Nervous System Agents; Drug / Therapeutic Agent; Muscle relaxants, central; Neuromuscular Agents; Neurotransmitter Agents; Parasympatholytics; Peripheral Nervous System Agents and Sensory System Agents.
 2,1,3-Benzothiadiazol-4-amine,5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)- (CAS NO.51322-75-9) should be stored at room temperature. It should be kept in a tightly closed container. And this material is stable if stored as directed.