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Mexiletine hydrochloride

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Name

Mexiletine hydrochloride

EINECS 226-362-1
CAS No. 5370-01-4 Density 0.979 g/cm3
PSA 35.25000 LogP 3.53170
Solubility 50 mg/mL in ethanol Melting Point 200-203 °C
Formula C11H17NO.HCl Boiling Point 271.5 °C at 760 mmHg
Molecular Weight 215.723 Flash Point 112.2 °C
Transport Information N/A Appearance white to off-white solid
Safety 36-26 Risk Codes 20/21/22-36/37/38-22
Molecular Structure Molecular Structure of 5370-01-4 (Mexiletine hydrochloride) Hazard Symbols HarmfulXn
Synonyms

2-Propanamine,1-(2,6-dimethylphenoxy)-, hydrochloride (9CI);Ethylamine, 1-methyl-2-(2,6-xylyloxy)-,hydrochloride (7CI,8CI);Katen;Ko 1173;Ko 1173Cl;Mexiletinehydrochloride;Mexilitene;Mexitil;Ritalmex;

Article Data 5

Mexiletine hydrochloride Specification

The IUPAC name of this chemical is 1-(2,6-dimethylphenoxy)propan-2-amine hydrochloride. With the CAS registry number 5370-01-4 and EINECS 226-362-1, it is also named as 1-Methyl-2-(2,6-xylyloxy)ethylamine hydrochloride. The product's categories are Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Intermediates & Fine Chemicals; Pharmaceuticals; Amine Salts; Nitrogen Compounds; Organic Building Blocks. It is white to off-white solid which is stable under normal temperature and pressure. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.63; (4)ACD/LogD (pH 7.4): 0.96; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.63; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 22.47; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 12.47 Å2; (13)Enthalpy of Vaporization: 50.97 kJ/mol; (14)Vapour Pressure: 0.00642 mmHg at 25°C; (15)Rotatable Bond Count: 3; (16)Exact Mass: 215.107692; (17)MonoIsotopic Mass: 215.107692; (18)Topological Polar Surface Area: 35.2; (19)Heavy Atom Count: 14.

Uses of Mexiletine hydrochloride: It is a kind of Antiarrhythmic agent pharmacologically similar to Lidocaine. It may have some anticonvulsant properties.

When you are using this chemical, please be cautious about it as the following:
It is not only harmful by inhalation, in contact with skin and if swallowed, but also irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.

People can use the following data to convert to the molecule structure. 
1. SMILES:Cl.O(c1c(cccc1C)C)CC(N)C
2. InChI:InChI=1/C11H17NO.ClH/c1-8-5-4-6-9(2)11(8)13-7-10(3)12;/h4-6,10H,7,12H2,1-3H3;1H
3. InChIKey:NFEIBWMZVIVJLQ-UHFFFAOYAV

The following are the toxicity data which has been tested.

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous 19mg/kg (19mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 16, Pg. 590, 1985.
dog LD50 oral 356mg/kg (356mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 16, Pg. 590, 1985.
mouse LD50 intramuscular 128mg/kg (128mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 13, Pg. 922, 1982.
mouse LD50 intraperitoneal 114mg/kg (114mg/kg)   United States Patent Document. Vol. #4731383,
mouse LD50 intravenous 21mg/kg (21mg/kg)   Bratislavske Lekarske Listy. Vol. 85, Pg. 152, 1986.
mouse LD50 oral 272mg/kg (272mg/kg) SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
Arzneimittel-Forschung. Drug Research. Vol. 38, Pg. 1398, 1988.
mouse LD50 subcutaneous 235mg/kg (235mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: ATAXIA

MUSCULOSKELETAL: OTHER CHANGES
Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 13, Pg. 922, 1982.
rabbit LD50 oral 160mg/kg (160mg/kg) SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 13, Pg. 922, 1982.
rat LD50 intramuscular 190mg/kg (190mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 13, Pg. 922, 1982.
rat LD50 intravenous 27mg/kg (27mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 13, Pg. 922, 1982.
rat LD50 oral 330mg/kg (330mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: TREMOR

BEHAVIORAL: ATAXIA
Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 13, Pg. 922, 1982.
rat LD50 subcutaneous 500mg/kg (500mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: TREMOR

MUSCULOSKELETAL: OTHER CHANGES
Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 13, Pg. 922, 1982.
women TDLo oral 360mg/kg (360mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: COMA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Journal of Toxicology, Clinical Toxicology. Vol. 32, Pg. 731, 1994.
 

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