5173-46-6
| Name | Estra-4,9-diene-3,17-dione |
| CAS | 5173-46-6 |
| EINECS(EC#) | 610-717-6 |
| Molecular Formula | C18H22O2 |
| MDL Number | MFCD03695567 |
| Molecular Weight | 270.37 |
| MOL File | 5173-46-6.mol |
Chemical Properties
| Melting point | 131-134°C |
| Boiling point | 466.5±45.0 °C(Predicted) |
| density | 1.16±0.1 g/cm3(Predicted) |
| storage temp. | Refrigerator |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| form | Solid |
| color | Pale Beige to Yellow |
| Usage | A potential metabolitie of STS 557 (Dienogest). A steroid with antiglucocorticoid activity |
| InChI | InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,15-16H,2-9H2,1H3/t15-,16+,18+/m1/s1 |
| InChIKey | BHTWZQKERRCPRZ-RYRKJORJSA-N |
| SMILES | C1(=O)C=C2C(CC1)=C1[C@]([H])([C@@]3([H])[C@@](CC1)(C)C(=O)CC3)CC2 |
| CAS DataBase Reference | 5173-46-6(CAS DataBase Reference) |
Safety Data
| Symbol(GHS) |  GHS08 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335-H360-H351-H361-H341 |
| Precautionary statements | P201-P202-P281-P308+P313-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P201-P202-P281-P308+P313-P405-P501-P201-P202-P281-P308+P313-P405-P501 |
| REACH Registrations | Active |
| DEA Controlled Substances | CSCN: 4000 CSA SCH: Schedule III NARC: No |