HuagongsheHuagongshe Chemistry Print Report · For research reference only
Desthiazolylmethyl ritonavir
Ritonavir EP IMP L · RITOVIR IMPURITY L · RitonavirEP ImpurityL · Ritonavir Impurity 12 · Desthiazolylmethyl Ritonavi · Desthiazolylmethyl ritonavir · Ritonavir EP Impurity L(BP Impurity L) · Ritonavir Impurity 12(Ritonavir EP Impurity L)
Identifiers & Physical Properties
| CAS No. | 256328-82-2 |
|---|---|
| Molecular formula | C33H43N5O4S |
| Average molar mass | 605.8 g/mol |
| Monoisotopic mass | 605.30357604 g/mol |
| SMILES | CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@@H]2OC(=O)N[C@H]2Cc2ccccc2)C(C)C)cs1 |
| InChIKey | YIFUFODEQQNFLV-AMEOFWRWSA-N |
| PubChem CID | 45038913 |
| DTXSID | DTXSID00180311 |
Chemical & Physical Properties
| XLogP | 5.9 |
|---|---|
| Topological polar surface area | 141 |
| Hydrogen bond donors | 3 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 13 |
| Heavy atoms | 43 |
| Formal charge | 0 |
| Complexity | 908 |
| Melting point | 65-69°C |
| Boiling point | 874.0±65.0 °C(Predicted) |
| Density | 1.185±0.06 g/cm3(Predicted) |
| Storage conditions | Refrigerator |
| Solubility | Chloroform (Slightly), DMSO (Slightly, Sonicated), Methanol (Slightly) |
| Physical state | Solid |
| pKa (acidity coefficient) | 12.40±0.46(Predicted) |
| Color | White to Off-White |
| FDA UNII | J289RGF13S |
| GHS pictogram | GHS08 |
| Signal word | Warning |
| GHS hazard statements | H351-H361 |
| GHS precautionary statements | P201-P202-P280-P308+P313-P405-P501 |
Safety & Regulations
| Signal word | Warning |
|---|---|
| GHS pictogram | GHS08 |
| GHS hazard statements | H351-H361 |
| GHS precautionary statements | P201-P202-P280-P308+P313-P405-P501 |
Applications & Uses
Uses
Desthiazolylmethyl Ritonavir (Ritonavir EP Impurity L) is an analogue of the selective HIV protease inhibitor Ritonavir (R535000). It is a COVID19-related research product.