HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
S-(Carboxymethyl)cysteine
carbocistein · mucodyne · Broncodeterge · Glycolate si temple · S-Carbomethuloysteine · S-Carboxymethyl-L-cysteine USP/EP/BP · 2-amino-3-(carboxymethylthio)propionic acid · 2-Azanyl-3-(carboxymethylthio)-propanoic acid
Identifikatoren & physikalische Daten
| CAS No. | 2387-59-9 |
|---|---|
| Summenformel | C5H9NO4S |
| Durchschnittliche Molmasse | 179,2 g/mol |
| Monoisotopische Masse | 179,02522877 g/mol |
| SMILES | NC(CSCC(=O)O)C(=O)O |
| InChIKey | GBFLZEXEOZUWRN-UHFFFAOYSA-N |
| PubChem CID | 1080 |
| ChEMBL | CHEMBL1447969 |
| EC No. | 246-934-4 |
| DTXSID | DTXSID9022738 |
Chemische & physikalische Eigenschaften
| XLogP | -3,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 126 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 161 |
| Arzneimittel | Pharmaceuticals |
| Schmelzpunkt | 204 - 207 °C205.5°C |
| Physical Description | Solid |
| Collision Cross Section | 137.1 Ų [M+H]+ [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)] |
| Dichte | 1.315 (estimate) |
| Brechungsindex | 1.5216 (estimate) |
| Aggregatzustand | solid |
| InChI | InChI=1/C5H9NO4S/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/s3 |
| InChIKey | GBFLZEXEOZUWRN-ZJPLZJKBNA-N |
| SMILES | C(O)(=O)[C@H](CSCC(O)=O)N |&1:3,r| |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
Anwendungen & Verwendung
Verwenden
Mucolytic.