Basic information
- Name:
Tolperisone hydrochloride
- CAS No.:
3644-61-9
- Molecular Structure:
- 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
- Appearance:
- white solid
- Hazard Symbols:
Xn, 
Xi- Risk Codes:
- 20/21/22-52/53-36/37/38
- Safety Description:
- 26-36-45-61-36/37-37/39 Details
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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: 
Xn, 
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 NOx 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.