51-98-9
| Name | 19-Norethindrone acetate |
| CAS | 51-98-9 |
| EINECS(EC#) | 200-132-0 |
| Molecular Formula | C22H28O3 |
| MDL Number | MFCD04039850 |
| Molecular Weight | 340.46 |
| MOL File | 51-98-9.mol |
Chemical Properties
| Melting point | 161-162° |
| Boiling point | 416.25°C (rough estimate) |
| density | 1.1236 (rough estimate) |
| refractive index | -34 ° (C=1, Dioxane) |
| storage temp. | 2-8°C |
| solubility | Practically insoluble in water, freely soluble in methylene chloride, soluble in alcohol. |
| form | neat |
| color | Crystals from Me2CO/hexane |
| Water Solubility | 3.162mg/L(10 ºC) |
| Merck | 6697 |
| Major Application | pharmaceutical small molecule |
| InChI | InChI=1/C22H28O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,13,17-20H,5-12H2,2-3H3/t17-,18+,19+,20-,21-,22-/s3 |
| InChIKey | IMONTRJLAWHYGT-ZCPXKWAGSA-N |
| SMILES | C[C@]12CC[C@]3([H])[C@@]4([H])CCC(=O)C=C4CC[C@@]3([H])[C@]1([H])CC[C@]2(C#C)OC(=O)C |&1:1,4,6,16,18,22,r| |
| CAS DataBase Reference | 51-98-9(CAS DataBase Reference) |
| NIST Chemistry Reference | Norethindrone acetate(51-98-9) |
Safety Data
| Hazard Codes | Xn |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| RTECS | RC8965000 |
| HS Code | 29372390 |
| Storage Class | 6.1D - Non-combustible acute toxic Cat.3 toxic hazardous materials or hazardous materials causing chronic effects |
| Hazard Classifications | Aquatic Acute 1 Aquatic Chronic 1 Carc. 2 Lact. Repr. 1A |
| Safety Profile | |
| Toxicity |