77546-39-5
| Name | TESTOSTERONE-16,16,17-D3 |
| CAS | 77546-39-5 |
| EINECS(EC#) | 203-794-9 |
| Molecular Formula | C19H25D3O2 |
| MDL Number | MFCD00079586 |
| Molecular Weight | 291.44 |
| MOL File | 77546-39-5.mol |
Chemical Properties
| Melting point | 148-150°C |
| Boiling point | 432.925±45.00 °C(Press: 760.00 Torr)(predicted) |
| density | 1.122±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted) |
| Fp | 5 °C |
| storage temp. | 2-8°C |
| solubility | Acetonitrile: 1 mg/ml; Ethanol: 1 mg/ml; Methanol: 1 mg/ml |
| form | neat |
| pka | 15.061±0.60(predicted) |
| Appearance | off-white solidorcolorless liquid |
| Major Application | clinical testing |
| InChI | 1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1/i6D2,17D |
| InChIKey | MUMGGOZAMZWBJJ-HZRGXLBSSA-N |
| SMILES | [H]C1([H])C[C@]2([H])[C@@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@]3([H])CC[C@@]2(C)[C@]1([H])O |
| EPA Substance Registry System | Androst-4-en-3-one-16,16,17-d3, 17-hydroxy-, (17.beta.)- (77546-39-5) |
| CAS Number Unlabeled | 58-22-0 |
Safety Data
| Hazard Codes | F,T,Xn |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 2252 3/PG 2 |
| WGK Germany | 3 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Acute Tox. 4 Inhalation Flam. Liq. 2 Repr. 1B Skin Irrit. 2 |