HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Medroninsure
MDP · MEDRONIC ACID · methylenediphosphonate · Medronic · medronicaci · MDP~Medronicacid · Medronic acid CRS · Medronic acid - EP
Identifikatoren & physikalische Daten
| CAS No. | 1984-15-2 |
|---|---|
| Summenformel | CH6O6P2 |
| Durchschnittliche Molmasse | 176 g/mol |
| Monoisotopische Masse | 175,96396117 g/mol |
| SMILES | O=P(O)(O)CP(=O)(O)O |
| InChIKey | MBKDYNNUVRNNRF-UHFFFAOYSA-N |
| PubChem CID | 16124 |
| ChEMBL | CHEMBL180570 |
| ChEBI | CHEBI:43945 |
| EC No. | 217-851-0 |
| DTXSID | DTXSID8045696 |
| Lokaler Name | Medroninsure |
Chemische & physikalische Eigenschaften
| XLogP | -3,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 115 |
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 151 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Human Drugs | Breast FeedingLactationMilk, HumanRadiopharmaceuticalsTechnetium CompoundsDiagnostic Agents |
| Schmelzpunkt | 197-199 °C(lit.) |
| Siedepunkt | 583.2±60.0 °C(Predicted) |
| Dichte | 2.111±0.06 g/cm3(Predicted) |
| Lagerbedingungen | -20°C |
| Löslichkeit | DMSO : 250 mg/mL (1420.45 mMNeed ultrasonic)Soluble in water. |
| pKa (Säurekonstante) | 1.43±0.10(Predicted) |
| Aggregatzustand | Moist Crystals or Crystalline Powder |
| Farbe | Blue |
| Merck | 14,5792 |
| BRN | 1708494 |
| InChI | InChI=1S/CH6O6P2/c2-8(3,4)1-9(5,6)7/h1H2,(H2,2,3,4)(H2,5,6,7) |
| InChIKey | MBKDYNNUVRNNRF-UHFFFAOYSA-N |
| SMILES | C(P(O)(O)=O)P(O)(O)=O |
| CAS Datenbank | 1984-15-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Effects During Pregnancy and Lactation | ◉ Summary of Use during Lactation |
| F | 3 |
| Wassergefährdungsklasse (WGK) | - |
| UN-Transportnummer | UN 3261 8/PG 3 |
| Zollcode | 29319019 |
| RTECS-Nr. | SZ9138000 |
| R-Sätze (R) | 34 |
| Toxizität | LD50 in mice, rabbits (mg/kg): 45-50 i.v. (Subramanian, 1975) |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 8Eye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
Methylenediphosphonic acid is a radioactive compound used for skeletal imaging. MDP has been used as a chelating agent to vary calcium levels in cell culture in a study of caffeine storage in bovine chromaffin cells.