HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2,4'-Dimethyl-3-piperidinopropiophenonhydrochlorid
TOLPERISONE HCL · Abbsa · n-553 · Isocalm · Kineorl · muscalm · Atmosgen · Minacalm
Identifikatoren & physikalische Daten
| CAS No. | 3644-61-9 |
|---|---|
| Summenformel | C16H24ClNO |
| Durchschnittliche Molmasse | 281,82 g/mol |
| Monoisotopische Masse | 281,15464207 g/mol |
| SMILES | Cc1ccc(C(=O)C(C)CN2CCCCC2)cc1.Cl |
| InChIKey | ZBUVYROEHQQAKL-UHFFFAOYSA-N |
| PubChem CID | 92965 |
| ChEMBL | CHEMBL1395150 |
| ChEBI | CHEBI:32244 |
| EC No. | 222-876-5 |
| DTXSID | DTXSID2045868 |
| Lokaler Name | 2,4'-Dimethyl-3-piperidinopropiophenonhydrochlorid |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 20,3 |
|---|---|
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 19 |
| Formalladung | 0 |
| Komplexität | 262 |
| Collision Cross Section | 160.5 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
| Schmelzpunkt | 181-183°C |
| Lagerbedingungen | room temp |
| Löslichkeit | H2O: >20mg/mLalmost transparency |
| Aggregatzustand | solid |
| Farbe | white |
| pH | pH(50g/l, 25℃) : 4.5～5.5 |
| Merck | 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,3-5,10-12H2,1-2H31H |
| InChIKey | ZBUVYROEHQQAKL-UHFFFAOYSA-N |
| SMILES | C1(=CC=C(C)C=C1)C(=O)C(C)CN1CCCCC1.Cl |
| CAS Datenbank | 3644-61-9(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (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. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| RTECS-Nr. | UH1575500 |
| R-Sätze (R) | 20/21/22-52/53-36/37/38 |
| Toxizität | LD50 s.c. in mice: 620 mg/kg (Porszasz, 1961) |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 26-36-45-61-36/37-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral |
Anwendungen & Verwendung
Verwenden
Tolperisone hydrochloride can be used as a muscle relaxant.