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Tizanidine hydrochloride

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Name

Tizanidine hydrochloride

EINECS N/A
CAS No. 64461-82-1 Density N/A
PSA 90.44000 LogP 2.35520
Solubility N/A Melting Point 280 °C
Formula C9H8ClN5S.HCl Boiling Point 391.2 °C at 760 mmHg
Molecular Weight 290.176 Flash Point 190.4 °C
Transport Information N/A Appearance Off-white to pale yellow solid
Safety 26-36 Risk Codes 22-36/37/38
Molecular Structure Molecular Structure of 64461-82-1 (Tizanidine hydrochloride) Hazard Symbols HarmfulXn
Synonyms

2,1,3-Benzothiadiazol-4-amine,5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-, monohydrochloride (9CI);5-Chloro-4-(2-imidazolin-2-ylamino)-2,1,3-benzothiadiazole hydrochloride;AB021;AN 021;DS 103-282;Ternelin;Tizan;Tizpa;Zanaflex;

Article Data 6

Tizanidine hydrochloride Specification

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.

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