119302-20-4
| Name | (2b,3a,5a,16b,17b)-2-(4-Morpholinyl)-16-(1-pyrrolidinyl)androstane-3,17-diol |
| CAS | 119302-20-4 |
| EINECS(EC#) | 601-595-5 |
| Molecular Formula | C27H46N2O3 |
| MDL Number | MFCD09833551 |
| Molecular Weight | 446.67 |
| MOL File | 119302-20-4.mol |
Chemical Properties
| Melting point | >210°C (dec.) |
| Boiling point | 565.4±50.0 °C(Predicted) |
| density | 1.163 |
| vapor pressure | 0Pa at 25℃ |
| storage temp. | Sealed in dry,2-8°C |
| solubility | Chloroform (Slightly), DMSO (Slightly, Heated), Methanol (Slightly, Heated) |
| form | Solid |
| pka | 14.69±0.70(Predicted) |
| color | White to Off-White |
| Optical Rotation | 83.87°(C=0.01g/mL, CHCL3, 20°C, 589nm) |
| Major Application | pharmaceutical small molecule |
| InChIKey | YKHDYPFPUAWBIW-HEABSFAMNA-N |
| SMILES | [C@]12(C)CC[C@]3([C@@]([H])(CC[C@@]4([H])C[C@H](O)[C@@H](N5CCOCC5)C[C@]34C)[C@]1([H])C[C@H](N1CCCC1)[C@@H]2O)[H] |&1:0,4,5,9,12,14,22,24,27,33,r| |
| LogP | 4.6 at 22℃ and pH12 |
| CAS DataBase Reference | 119302-20-4(CAS DataBase Reference) |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H302-H332-H312 |
| Precautionary statements | P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501 |
| REACH Registrations | Active |