HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Carbidopa
S(-)-CARBIDOPA · Carbidopa-d3 · (S)-CARBIDOPA · mk486 · KINSON · L-3-(3,4 · CARBIDOPA EDMF · n-aminomethyldopa
Identifikatoren & physikalische Daten
| CAS No. | 28860-95-9 |
|---|---|
| Summenformel | C10H14N2O4 |
| Durchschnittliche Molmasse | 226,23 g/mol |
| Monoisotopische Masse | 226,09535693 g/mol |
| SMILES | C[C@@](Cc1ccc(O)c(O)c1)(NN)C(=O)O |
| InChIKey | TZFNLOMSOLWIDK-JTQLQIEISA-N |
| PubChem CID | 34359 |
| ChEMBL | CHEMBL1200748 |
| ChEBI | CHEBI:39585 |
| EC No. | 249-271-9 |
| DTXSID | DTXSID4022735 |
Chemische & physikalische Eigenschaften
| XLogP | -2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 116 |
| H-Brücken-Donoren | 5 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 261 |
| LogP (Verteilungskoeffizient) | -1.9 |
| Löslichkeit | 3.8DMSO (Slightly), Methanol (Slightly) |
| Siedepunkt | Decomposes367.84°C (rough estimate) |
| Schmelzpunkt | 203-208 °C203 - 205 °C203-205° (dec)mp 208° |
| Physical Description | Solid |
| Dissociation Constants | 2.3 |
| Collision Cross Section | 142.4 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]142.42 Ų [M+H-H2O]+ [CCS Type: TW143.39 Ų [M+H]+ [CCS Type: TW |
| Dichte | 1.2616 (rough estimate) |
| Brechungsindex | 1.5000 (estimate) |
| Lagerbedingungen | -20°C |
| pKa (Säurekonstante) | 3.40±0.14(Predicted) |
| Aggregatzustand | powder |
| Farbe | White to Off-White |
| Stabilität | Unstable in Solution |
| InChI | InChI=1/C10H14N2O4/c1-10(12-11,9(15)16)5-6-2-3-7(13)8(14)4-6/h2-4,12-14H,5,11H2,1H3,(H,15,16)/t10-/s3 |
| InChIKey | TZFNLOMSOLWIDK-JQHDBZEONA-N |
| SMILES | [C@@](C)(NN)(C(=O)O)CC1C=CC(O)=C(O)C=1 |&1:0,r| |
| CAS Datenbank | 28860-95-9(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 2.7% (2 of 75) of reports.DangerH315 (82.7%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (82.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (82.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H351 (12%): Suspected of causing cancer [Warning Carcinogenicity]H360 (12%): May damage fertility or the unborn child [Danger Reproductive toxicity]P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, 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 75 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 2 of 75 reports by companies.There are 9 notifications provided by 73 of 75 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 16-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/29434 |
| Hazard Classes and Categories | Skin Irrit. 2 (82.7%)Eye Irrit. 2A (82.7%)STOT SE 3 (82.7%)Muta. 2 (100%) |
| Unerwünschte Wirkungen | Because of the irreversible binding of AADC, carbidopa can decrease or deplete peripheral levels of serotonin, dopamine, norepinephrine, and epinephrine. Additionally, research has demonstrated that the irreversible binding of PLP causes nutritional deficiencies in vitamins B3 and B6. Specific carbidopa-induced dyskinesias, including “facial twitching and head bobbing,” have also been described.Recognizing the adverse effects associated with carbidopa/levodopa combinations is also essential. In addition to dyskinetic movements, there are reports of psychiatric problems, autonomic dysfunction, and sensory/pain symptoms with levodopa use. These non-motor symptoms range from euphoric mood, hallucinations, and worsening cognition, to poor thermoregulation, dysphagia, and peripheral neuropathy and can vary depending on the “on/off” fluctuations of levodopa. |
| Toxizitätsübersicht | There is little data to suggest a possibility for or symptoms of carbidopa toxicity. However, reported data indicate that carbidopa/levodopa intestinal gel infusion can cause significant damage to small nerve fibers leading to pain and sensory discomfort. |
| Drug Induced Liver Injury | Drug Induced Liver Injury Rank (DILIrank 2.0)CarbidopaAmbiguous-DILI-concern3Warnings & precautionsDOI:10.1016/j.drudis.2016.02.015 |
| Wassergefährdungsklasse (WGK) | 3 |
| RTECS-Nr. | MW5298000 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
in combinaison with levodopa as antiparkinsonian;inhibits aromatic-L-amino-acid decarboxylase (DOPA Decarboxylase or DDC)