329216-67-3
| Name | Quetiapine Hydroxy Impurity |
| CAS | 329216-67-3 |
| Molecular Formula | C19H21N3OS |
| MDL Number | MFCD09260028 |
| Molecular Weight | 339.45 |
| MOL File | 329216-67-3.mol |
Chemical Properties
| Melting point | >50°C (dec.) |
| Boiling point | 523.4±60.0 °C(Predicted) |
| density | 1.29±0.1 g/cm3(Predicted) |
| storage temp. | -20°C Freezer |
| solubility | Chloroform (Slightly), DMSO (Slightly), Ethanol (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 14.96±0.10(Predicted) |
| color | White to Light Yellow |
| Major Application | pharmaceutical small molecule |
| InChI | 1S/C19H21N3OS/c23-14-13-21-9-11-22(12-10-21)19-15-5-1-3-7-17(15)24-18-8-4-2-6-16(18)20-19/h1-8,23H,9-14H2 |
| InChIKey | OFLMIXVKBNAUIB-UHFFFAOYSA-N |
| SMILES | [s]1c2c(nc(c4c1cccc4)N3CCN(CC3)CCO)cccc2 |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H319-H302-H335-H318 |
| Precautionary statements | P280-P305+P351+P338-P310-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501 |
| WGK Germany | WGK 1 |
| REACH Registrations | Active |
| Storage Class | 10 - Combustible liquids |
| Hazard Classifications | Acute Tox. 4 Oral Repr. 2 STOT SE 3 |