79037-37-9
| Name | 17BETA-ESTRADIOL-16,16,17-D3 |
| CAS | 79037-37-9 |
| Molecular Formula | C18H21D3O2 |
| MDL Number | MFCD01074033 |
| Molecular Weight | 275.4 |
| MOL File | 79037-37-9.mol |
Chemical Properties
| Appearance | White Crystalline Powder |
| Melting point | 178-179 °C(lit.) |
| Fp | 76℃ |
| storage temp. | -20°C Freezer |
| solubility | Dioxane (Slightly), Methanol (Slightly) |
| form | Solid |
| color | White to Off-White |
| InChI | InChI=1/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/s3/i7D2,17D |
| InChIKey | VOXZDWNPVJITMN-WAGFJWLENA-N |
| SMILES | C1(=CC2=C(C=C1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@]([2H])(O)C([2H])([2H])C3)CC2)O |&1:6,8,10,12,16,r| |
| CAS Number Unlabeled | 50-28-2 |
Safety Data
| Hazard Codes | T,N |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 3077 9 / PGIII |
| WGK Germany | 3 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Aquatic Acute 1 Aquatic Chronic 1 Carc. 2 Lact. Repr. 1A |