HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Dacarbazin
DTIC · dtic-dome · DTIE · deticene · WR139007 · dtic-aome · NSC-45388 · WR 139007
Identifikatoren & physikalische Daten
| CAS No. | 4342-03-4 |
|---|---|
| Summenformel | C6H10N6O |
| Durchschnittliche Molmasse | 182,18 g/mol |
| Monoisotopische Masse | 182,09160896 g/mol |
| SMILES | CN(C)N=Nc1nc[nH]c1C(N)=O |
| InChIKey | FDKXTQMXEQVLRF-UHFFFAOYSA-N |
| PubChem CID | 2942 |
| ChEMBL | CHEMBL1574179 |
| ChEBI | CHEBI:4305 |
| DTXSID | DTXSID0020369 |
| Lokaler Name | Dacarbazin |
Chemische & physikalische Eigenschaften
| XLogP | -0,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 99,7 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 215 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15Pharmaceuticals -> Antibiotics |
| LogP (Verteilungskoeffizient) | -1.6-0.24 |
| Löslichkeit | 1.36e+00 g/LSlightly soluble in water and in anhydrous ethanol, practically insoluble in methylene chloride.Slightly soluble in water, DMSO and ethanol /n |
| Schmelzpunkt | 205 °C199-205°C |
| Physical Description | Solid |
| Collision Cross Section | 142.75 Ų [M+Na]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
| Siedepunkt | 315.57°C (rough estimate) |
| Dichte | 1.3206 (rough estimate) |
| Brechungsindex | 1.7500 (estimate) |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | powder |
| pKa (Säurekonstante) | pKa 4.42 (Uncertain) |
| Farbe | Off-White to Light Yellow |
| Merck | 14,2798 |
| Hauptanwendungen | pharmaceutical (small molecule) |
| InChI | 1S/C6H10N6O/c1-12(2)11-10-6-4(5(7)13)8-3-9-6/h3H,1-2H3,(H2,7,13)(H,8,9)/b11-10+ |
| InChIKey | FDKXTQMXEQVLRF-ZHACJKMWSA-N |
| SMILES | CN(C)\N=N\c1[nH]cnc1C(N)=O |
| LogP (Verteilungskoeffizient) | -0.240 |
| CAS Datenbank | 4342-03-4(CAS DataBase Reference) |
| EPA chemische Informationen | Dacarbazine (4342-03-4) |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 3 |
|---|---|
| Zollcode | 29349990 |
| RTECS-Nr. | NI3950000 |
| R-Sätze (R) | 45-46-20/21/22-36/37/38 |
| Gefahrensymbole | T,Xi,Xn |
| Sicherheitshinweise (S) | 53-36/37/39-45-37/39-36-26 |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Gefahrstoffdaten | 4342-03-4(Hazardous Substances Data) |
| Gefahrenklasse | Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralCarc. 1BEye Irrit. 2Muta. 1BSkin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Beschreibung
Dacarbazine is nevertheless considered the first representative of the series of triazene derivatives. It has been shown that it is an alkylating agent, and thus this drug inhibits RNA and protein synthesis to a greater degree than DNA. Dacarbazine is used intravenously for Hodgkin’s disease, soft-tissue sarcoma, and metastatic melanoma. A synonym of this drug is diticene.
Verwenden
Dacarbazine is used as an antineoplastic for treatment of malignant melanoma and sarcomas.