Altrenogest
Bezeichnung:Altrenogest
CAS-Nr850-52-2
Englisch Name:Altrenogest
CBNumberCB7211951
SummenformelC21H26O2
Molgewicht310.44
MOL-Datei850-52-2.mol
Synonyma
Altrenogest
Altrenogest physikalisch-chemischer Eigenschaften
Schmelzpunkt | 120° |
alpha | D20 -72° (c = 0.5 in ethanol) |
Siedepunkt | 390.58°C (rough estimate) |
Dichte | 1.0865 (rough estimate) |
Brechungsindex | 1.4900 (estimate) |
storage temp. | Sealed in dry,2-8°C |
Löslichkeit | DMF: 2 mg/ml; DMSO: 0.1 mg/ml; Ethanol: 20 mg/ml; Ethanol:PBS (pH 7.2)(1:2): 0.3 mg/ml |
pka | 14.59±0.40(Predicted) |
Aggregatzustand | Solid |
Farbe | White to Yellow |
Merck | 14,319 |
InChI | InChI=1/C21H26O2/c1-3-10-21(23)12-9-19-18-6-4-14-13-15(22)5-7-16(14)17(18)8-11-20(19,21)2/h3,8,11,13,18-19,23H,1,4-7,9-10,12H2,2H3/t18-,19+,20+,21+/s3 |
InChIKey | VWAUPFMBXBWEQY-ANULTFPQSA-N |
SMILES | C[C@]12C=CC3=C4CCC(=O)C=C4CC[C@@]3([H])[C@]1([H])CC[C@@]2(O)CC=C |&1:1,14,16,20,r| |