2,4'-Dimethyl-3-piperidinopropiophenonhydrochlorid
Tolperisone Hydrochloride
Grundinformationen
- CAS
3644-61-9- Standard-SMILES
Cc1ccc(C(=O)C(C)CN2CCCCC2)cc1.Cl- InChIKey
ZBUVYROEHQQAKL-UHFFFAOYSA-N- Summenformel
- C16H24ClNO
- Durchschnittliche Molmasse
- 281,82 g/mol
- Monoisotopische Masse
- 281,15464207
Überblick
Tolperisone hydrochloride is an aromatic ketone.
Namen und Bezeichner
- Bevorzugter Name
- Tolperisone Hydrochloride
- IUPAC
- 2-methyl-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one;hydrochloride
- Lokaler Name
- 2,4'-Dimethyl-3-piperidinopropiophenonhydrochlorid
- Englischer Name
- Tolperisone hydrochloride
- Summenformel
- C16H24ClNO
- Molmasse
- 281.82
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
3644-61-9、70312-00-4- PubChem CID
- 92965
- DTXSID
DTXSID2045868- ChEMBL
CHEMBL1395150- ChEBI
CHEBI:32244- UNII
- 8Z075K2TIG
- EC Number
- 222-876-5
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 20,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 19
- Formalladung
- 0
- Komplexität
- 262
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 181 · 181-183°C
- storage temp.
- room temp
- Löslichkeit
- 2 O: · H2O: >20mg/mL
- Aggregatzustand
- solid
- Farbe
- white
- PH
- pH(50g/l, 25℃) : 4.5~5.5
- Wasserlöslichkeit
- almost transparency
- Merck
- 14 · 14,9522
- 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
- SMILES
- C1(=CC=C(C)C=C1)C(=O)C(C)CN1CCCCC1.Cl
- CAS Datenbank
- 3644 · 3644-61-9(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 96 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Sicherheitsdaten
- wgk
- 3
- RTECS-Nr.
- UH1575500
- risk_code
- 20/21/22-52/53-36/37/38
- Toxizität
- LD50 s.c. in mice: 620 mg/kg (Porszasz, 1961)
- hazard_code
- Xn,Xi
- safety_code
- 26-36-45-61-36/37-37/39
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
A heterogeneous group of drugs used to produce muscle relaxation, excepting the neuromuscular blocking agents. They have their primary clinical and therapeutic uses in the treatment of muscle spasm and immobility associated with strains, sprains, and injuries of the back and, to a lesser degree, injuries to the neck. They have been used also for the treatment of a variety of clinical conditions that have in common only the presence of skeletal muscle hyperactivity, for example, the muscle spasms that can occur in MULTIPLE SCLEROSIS. (From Smith and Reynard, Textbook of Pharmacology, 1991, p358)
Anwendungen
VerwendenTolperisone hydrochloride can be used as a muscle relaxant.
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