CAS No.3644-61-9,Tolperisone hydrochloride Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	3644-61-9
Name:	Tolperisone hydrochloride

Formula:	C₁₆H₂₄ClNO
Molecular Weight:	281.86
Synonyms:	1-Propanone,2-methyl-1-(4-methylphenyl)-3-(1-piperidinyl)-, hydrochloride (9CI);Propiophenone, 2,4'-dimethyl-3-piperidino-, hydrochloride (7CI,8CI);1-Piperidino-2-methyl-3-(4-methylphenyl)propan-3-one hydrochloride;2,4'-Dimethyl-3-piperidinopropiophenone hydrochloride;Abbsa;Arantoick;Besnoline;Isocalm;Kineorl;Menopatol;Metosomin;Muscalm;Mydocalm;Naismeritin;Tolisartine;1-Propanone,2-methyl-1-(4-methylphenyl)-3-(1-piperidinyl)-, hydrochloride (1:1);
EINECS:	222-876-5
Melting Point:	181-183 °C
Boiling Point:	373.9 °C at 760 mmHg
Flash Point:	134.4 °C
Solubility:	almost transparency
Appearance:	white solid
Hazard Symbols:	Xn, Xi
Risk Codes:	20/21/22-52/53-36/37/38
Safety:	26-36-45-61-36/37-37/39
PSA:	20.31000
LogP:	4.03960

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Chemistry

Structure of Tolperisone hydrochloride (CAS NO.3644-61-9):

IUPAC Name: 2-Methyl-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one hydrochloride
Molecular Formula: C₁₆H₂₄ClNO
Molar mass: 281.82 g/mol
Flash Point: 134.4 °C
Boiling Point: 373.9 °C at 760 mmHg
Vapour Pressure: 8.66E-06 mmHg at 25 °C
Melting Point: 181-183 °C
Storage Temp.: room temp.
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 4
Tautomer Count: 7
Exact Mass: 281.154642
MonoIsotopic Mass: 281.154642
Topological Polar Surface Area: 20.3
Heavy Atom Count: 19
Canonical SMILES: CC1=CC=C(C=C1)C(=O)C(C)CN2CCCCC2.Cl
InChI: InChI=1S/C16H23NO.ClH/c1-13-6-8-15(9-7-13)16(18)14(2)12-17-10-4-3-5-11-17;/h6-9,14H,3-5,10-12H2,1-2H3;1H
InChIKey: ZBUVYROEHQQAKL-UHFFFAOYSA-N
EINECS: 222-876-5
Product Categories: Intermediates & Fine Chemicals; Pharmaceuticals

Uses

Tolperisone hydrochloride (CAS NO.3644-61-9) is used for intermediate and as a muscle relaxant.

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
cat	LD50	intravenous	40mg/kg (40mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) BEHAVIORAL: MUSCLE WEAKNESS	Oyo Yakuri. Pharmacometrics. Vol. 9, Pg. 809, 1975.
dog	LD50	intravenous	45mg/kg (45mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) BEHAVIORAL: MUSCLE WEAKNESS	Oyo Yakuri. Pharmacometrics. Vol. 9, Pg. 809, 1975.
mouse	LD50	intraperitoneal	210mg/kg (210mg/kg)		United States Patent Document. Vol. #4528299,
mouse	LD50	intravenous	34mg/kg (34mg/kg)		Yakkyoku. Pharmacy. Vol. 24, Pg. 1637, 1973.
mouse	LD50	oral	358mg/kg (358mg/kg)		Yakugaku Zasshi. Journal of Pharmacy. Vol. 107, Pg. 705, 1987.
mouse	LD50	subcutaneous	655mg/kg (655mg/kg)		Yakkyoku. Pharmacy. Vol. 24, Pg. 1637, 1973.
rat	LD50	intraperitoneal	170mg/kg (170mg/kg)		Drugs in Japan Vol. 6, Pg. 531, 1982.
rat	LD50	oral	1450mg/kg (1450mg/kg)		Drugs in Japan Vol. 6, Pg. 531, 1982.
rat	LD50	subcutaneous	645mg/kg (645mg/kg)		Drugs in Japan Vol. 6, Pg. 531, 1982.

Safety Profile

Hazard Codes: Harmful Xn, Irritant Xi
Risk Statements: 20/21/22-52/53-36/37/38
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-45-61-36/37-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
S36/37:Wear suitable protective clothing and gloves.
S37/39:Wear suitable gloves and eye/face protection.
RTECS: UH1575500
Poison by intravenous and intraperitoneal routes. Moderately toxic by ingestion and subcutaneous routes. When heated to decomposition it emits toxic fumes of NO_x and HCl.

Specification

Tolperisone hydrochloride (CAS NO.3644-61-9) also can be called ; 1-Piperidino-2-methyl-3-(p-tolyl)-3-propanone hydrochloride ; 1-Propanone, 2-methyl-1-(4-methylphenyl)-3-(1-piperidinyl)-, hydrochloride ; 2,4'-Dimethyl-3-piperidinopropiophenone hydrochloride ; 2-Methyl-3-piperidino-1-p-tolylpropan-1-one hydrochloride ; AV 650 ; Midocalm ; Muscalm ; Mydocalm ; N-553 ; Tolperisone HCl ; UNII-8Z075K2TIG . Tolperisone hydrochloride (CAS NO.3644-61-9) is white solid.