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54048-10-1

Name Etonogestrel
CAS 54048-10-1
EINECS(EC#) 258-936-2
Molecular Formula C22H28O2
MDL Number MFCD00867863
Molecular Weight 324.46
MOL File 54048-10-1.mol

Chemical Properties

Appearance White Solid
Melting point  182-184°C
alpha  D +87.6°
Boiling point  473.1±45.0 °C(Predicted)
density  1.13±0.1 g/cm3(Predicted)
storage temp.  -20°C
solubility  DMSO: >5mg/mL
form  powder
pka 13.04±0.40(Predicted)
color  white to beige
optical activity [α]/D +80 to +95°, c = 1 (CHCl3)
Usage A biologically active metabolite of Desogestrel.
InChI InChI=1/C22H28O2/c1-4-21-13-14(3)20-17-9-7-16(23)12-15(17)6-8-18(20)19(21)10-11-22(21,24)5-2/h2,12,17-20,24H,3-4,6-11,13H2,1H3/t17-,18-,19-,20+,21-,22-/s3
InChIKey GCKFUYQCUCGESZ-BPIQYHPVSA-N
SMILES C([C@]12CC(=C)[C@]3([H])[C@@]4([H])CCC(=O)C=C4CC[C@@]3([H])[C@]1([H])CC[C@@]2(O)C#C)C |&1:1,5,7,17,19,23,r|
CAS DataBase Reference 54048-10-1(CAS DataBase Reference)

Safety Data

Risk Statements 
WGK Germany  3
RTECS  JF8290000
HS Code  2937230000

Hazard Information

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