139079-39-3
| Name | 7-HYDROXY QUETIAPINE |
| CAS | 139079-39-3 |
| Molecular Formula | C21H25N3O3S |
| MDL Number | MFCD09260019 |
| Molecular Weight | 399.51 |
| MOL File | 139079-39-3.mol |
Chemical Properties
| Appearance | White Solid |
| Melting point | 56-60°C |
| Boiling point | 612.4±65.0 °C(Predicted) |
| density | 1.33±0.1 g/cm3(Predicted) |
| Fp | 9℃ |
| storage temp. | -20°C Freezer |
| solubility | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 11.18±0.20(Predicted) |
| color | White to Pale Yellow |
| Stability: | Hygroscopic |
| Major Application | clinical testing |
| InChI | 1S/C21H25N3O3S/c25-12-14-27-13-11-23-7-9-24(10-8-23)21-17-3-1-2-4-19(17)28-20-15-16(26)5-6-18(20)22-21/h1-6,15,25-26H,7-14H2 |
| InChIKey | VEGVCHRFYPFJFO-UHFFFAOYSA-N |
| SMILES | OCCOCCN1CCN(C2=NC(C=CC(O)=C3)=C3SC4=C2C=CC=C4)CC1 |
| CAS DataBase Reference | 139079-39-3 |
Safety Data
| Symbol(GHS) |    GHS02,GHS06,GHS08 |
| Signal word | Danger |
| Hazard statements | H225-H301+H311+H331-H370 |
| Precautionary statements | P210-P260-P280-P301+P310-P311 |
| Hazard Codes | F,T |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN1230 - class 3 - PG 2 - Methanol, solution |
| WGK Germany | 1 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Acute Tox. 3 Dermal Acute Tox. 3 Inhalation Acute Tox. 3 Oral Flam. Liq. 2 STOT SE 1 |