HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Danazol
danazole · danocrine · Danazol Usp · 17α-Pregna-2,4-dien-20-yne-[2,3-d]isoxazole-17b-ol · 4-ANDROSTEN-[2,3-D]ISOXAZOLE-17-ALPHA-ETHYNYL-17-BETA-OL · 1H-Cyclopenta[7,8]phenanthro[3,2-d]isoxazol-1-ol, 1-ethynyl-2,3,3a,3b,4,5,10,10a,10b,11,12,12a-dodecahydro-10a,12a-dimethyl- (7CI) · Dano · danol
Identifikatoren & physikalische Daten
| CAS No. | 17230-88-5 |
|---|---|
| Summenformel | C22H27NO2 |
| Durchschnittliche Molmasse | 337,5 g/mol |
| Monoisotopische Masse | 337,2041791 g/mol |
| SMILES | C#CC1(O)CCC2C3CCC4=Cc5oncc5CC4(C)C3CCC21C |
| InChIKey | POZRVZJJTULAOH-UHFFFAOYSA-N |
| PubChem CID | 2949 |
| ChEBI | CHEBI:91575 |
| DTXSID | DTXSID80860200 |
| Lokaler Name | Danazol |
Chemische & physikalische Eigenschaften
| XLogP | 3,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 25 |
| Formalladung | 0 |
| Komplexität | 677 |
| Schmelzpunkt | 224.4-226.80C |
| Siedepunkt | 473.76°C (rough estimate) |
| Dichte | 1.0909 (rough estimate) |
| Brechungsindex | 1.5614 (estimate) |
| Lagerbedingungen | -20°C Freezer |
| Löslichkeit | Acetonitrile (Slightly), Chloroform (Slightly), Ethanol (Slightly), Methanol (Slightly)Partly soluble in water. Soluble in chloroform (25 mg/ml), acetone, acetonitrile, and ethanol. 17beta-Hydroxy-2,4,17a-pregnadien-20-yno[2,3-d]isoxazole and 2,4,17a-Pregnadien-20-yno[2,3-d]isoxazol-17-ol are the synonym of this compound. |
| pKa (Säurekonstante) | 13.10±0.60(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to Pale Yellow |
| InChI | 1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16,17,18,20,21,22-/m0/s1 |
| InChIKey | POZRVZJJTULAOH-QLPJIZEUNA-N |
| SMILES | [C@]12([H])CC[C@]3(C)[C@](CC[C@@]3([H])[C@]1([H])CCC1=CC3ON=CC=3C[C@]21C)(O)C#C |&1:0,4,6,9,11,23,r| |
| EPA chemische Informationen | Danazol (17230-88-5) |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 3 |
|---|---|
| Zollcode | 29372900 |
| RTECS-Nr. | TU4157070 |
| R-Sätze (R) | 20/21/22-63-36/37/38 |
| Toxizität | dog,LD50,oral,> 5gm/kg (5000mg/kg),Journal of International Medical Research. Vol. 5(Suppl, |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 22-36-37/39-26 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 DermalAcute Tox. 4 InhalationRepr. 2 |
Anwendungen & Verwendung
Verwenden
Danazol is an anterior pituitary supressant. Danazol is an anabolic steroid derivative of ethisterone, with mild androgenic side effects (an impeded androgen). Antigonadotropin.