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 Rotation | [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
| Symbol(GHS) |  GHS08 |
| Signal word | Danger |
| Hazard statements | H351-H360 |
| Precautionary statements | P201-P280-P308+P313 |
| Risk Statements | |
| WGK Germany | 3 |
| RTECS | JF8290000 |
| HS Code | 2937230000 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Carc. 2 Repr. 1B |