HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Procysteine
OTC · OXOTHIAZOLIDINECARBOXYLIC ACID · OTZ · L-2-Thiazolidione-4-carboxylic acid · 2-OXOTHIAZOLIDINE-4-CARBOXYLIC ACID · PROCYSTEINE · H-L-OXOTHZ-OH · Procysteine USP/EP/BP
Identifikatoren & physikalische Daten
| CAS No. | 19771-63-2 |
|---|---|
| Summenformel | C4H5NO3S |
| Durchschnittliche Molmasse | 147,15 g/mol |
| Monoisotopische Masse | 146,99901402 g/mol |
| SMILES | O=C1N[C@H](C(=O)O)CS1 |
| InChIKey | BMLMGCPTLHPWPY-REOHCLBHSA-N |
| PubChem CID | 72390 |
| ChEMBL | CHEMBL442218 |
| ChEBI | CHEBI:125673 |
| EC No. | 606-375-2 |
| DTXSID | DTXSID501318247 |
Chemische & physikalische Eigenschaften
| XLogP | -0,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 91,7 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 158 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Schmelzpunkt | 174 °C (dec.)(lit.) |
| Dichte | 1.582±0.06 g/cm3(Predicted) |
| Brechungsindex | -64 ° (C=1, H2O) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly), Water (Slightly)Soluble in water |
| Aggregatzustand | Powder |
| pKa (Säurekonstante) | pKa (22°): 3.32 |
| Farbe | White to Off-white |
| Merck | 13,7019 |
| BRN | 4179169 |
| Kosmetik-Inhaltsstoffe Funktionen | SKIN CONDITIONING |
| InChI | InChI=1S/C4H5NO3S/c6-3(7)2-1-9-4(8)5-2/h2H,1H2,(H,5,8)(H,6,7)/t2-/m0/s1 |
| InChIKey | BMLMGCPTLHPWPY-REOHCLBHSA-N |
| SMILES | S1C[C@@H](C(O)=O)NC1=O |
| CAS Datenbank | 19771-63-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (97.4%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (97.4%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2934.20.8000 |
| RTECS-Nr. | XJ5426650 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
(R)-(-)-2-Oxothiazolidine-4-carboxylic Acid or Procysteine is a precursor to glutathione (GSH) which is an important antioxidant in plants, animals and fungi.