Tizanidine hydrochloride

The Tizanidine hydrochloride is an organic compound with the formula C₉H₈ClN₅S^.HCl. The IUPAC name of this chemical is 5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine hydrochloride. With the CAS registry number 64461-82-1, it is also named as 2,1,3-Benzothiadiazol-4-amine, 5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-, hydrochloride (1:1). The product's categories are Muscle relaxant (skeletal); Inhibitors; Intermediates & Fine Chemicals; Pharmaceuticals; Adrenoceptor. Besides, it should be stored in a closed cool and dry place.

The Tizanidine hydrochloride is a drug that is used as a muscle relaxant. It is a centrally acting α-2 adrenergic agonist. It is used to treat the spasms, cramping, and tightness of muscles caused by medical problems such as multiple sclerosis, spastic diplegia, back pain, or certain other injuries to the spine or central nervous system. It is also prescribed off-label for migraine headaches, as a sleep aid, and as an anticonvulsant. It is also prescribed for some symptoms of fibromyalgia.

Physical properties about Tizanidine hydrochloride are: (1)ACD/LogP: 0.65; (2)ACD/LogD (pH 5.5): 0.52; (3)ACD/LogD (pH 7.4): 0.65; (4)ACD/BCF (pH 5.5): 1.36; (5)ACD/BCF (pH 7.4): 1.84; (6)ACD/KOC (pH 5.5): 39.74; (7)ACD/KOC (pH 7.4): 53.76; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 72.86 Å²; (12)Flash Point: 190.4 °C; (13)Enthalpy of Vaporization: 64.07 kJ/mol; (14)Boiling Point: 391.2 °C at 760 mmHg; (15)Vapour Pressure: 2.51E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Clc1ccc3nsnc3c1NC/2=N/CCN\2
(2)InChI: InChI=1/C9H8ClN5S.ClH/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);1H
(3)InChIKey: ZWUKMNZJRDGCTQ-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C9H8ClN5S.ClH/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);1H
(5)Std. InChIKey: ZWUKMNZJRDGCTQ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	48mg/kg (48mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 19, Pg. 544, 1988.
mouse	LD50	oral	235mg/kg (235mg/kg)		Japanese Kokai Tokyo Koho Patents. Vol. #81-02912,
rabbit	LD50	oral	98mg/kg (98mg/kg)		Drugs in Japan Vol. -, Pg. 642, 1990.
rat	LD50	intravenous	35mg/kg (35mg/kg)	BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Kiso to Rinsho. Clinical Report. Vol. 19, Pg. 5811, 1985.
rat	LD50	oral	414mg/kg (414mg/kg)	BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Kiso to Rinsho. Clinical Report. Vol. 19, Pg. 5811, 1985.
rat	LD50	subcutaneous	282mg/kg (282mg/kg)	BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Kiso to Rinsho. Clinical Report. Vol. 19, Pg. 5811, 1985.