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Dienogestrel  Structure

Dienogestrel

Chemical Properties

Melting point 210-2140C
alpha  D25 -290° (c = 0.5 in pyridine)
Boiling point 451.46°C (rough estimate)
Density  1.0899 (rough estimate)
refractive index  1.5614 (estimate)
storage temp.  2-8°C
solubility  Chloroform (Slightly), Pyridine (Slightly)
pka 13?+-.0.40(Predicted)
form  powder
color  white to beige
optical activity [α]/D -305 to -325°, c = 1 in dichloromethane
Merck  14,3106
InChI InChI=1/C20H25NO2/c1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h12,17-18,23H,2-10H2,1H3/t17-,18+,19+,20-/s3
InChIKey AZFLJNIPTRTECV-XAYGXGNENA-N
SMILES C[C@]12CCC3=C4CCC(=O)C=C4CC[C@@]3([H])[C@]1([H])CC[C@@]2(O)CC#N |&1:1,14,16,20,r|
CAS DataBase Reference 65928-58-7(CAS DataBase Reference)

Safety Information

RTECS  RC8899500
HS Code  2937.23.5050
Toxicity LD50 oral in mouse: 4gm/kg

Usage And Synthesis

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