CLOTHIAPINE
- Product NameCLOTHIAPINE
- CAS2058-52-8
- CBNumberCB6760351
- MFC18H18ClN3S
- MW343.87
- EINECS218-162-8
- MDL NumberMFCD00866705
- MOL File2058-52-8.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 121-123℃ |
| Boiling point | 163.4°C (rough estimate) |
| Density | 1.2405 (rough estimate) |
| refractive index | 1.6000 (estimate) |
| solubility | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
| form | Off-white solid (m.p. 118-120°C). |
| pka | 7.22±0.42(Predicted) |
| color | White to light yellow |
| Stability | Hygroscopic |
| InChI | InChI=1S/C18H18ClN3S/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3 |
| InChIKey | KAAZGXDPUNNEFN-UHFFFAOYSA-N |
| SMILES | S1C2=CC=C(Cl)C=C2C(N2CCN(C)CC2)=NC2=CC=CC=C12 |
| FDA UNII | Z05HCY0X1T |
| ATC code | N05AH06 |
Safety
| Symbol(GHS) |
 
|
| Signal word | Danger |
| Hazard statements | H301-H400-H410 |
| Precautionary statements | P273-P391-P501-P264-P270-P301+P310-P321-P330-P405-P501-P273-P391-P501 |
| Toxicity | LD50 oral in rat: 280mg/kg |
