Zidovudine
An antiretroviral drug used in combination therapy for the treatment of HIV-1 infection. It is also used to reduce the risk of maternal-fetal HIV-1 transmission.
CAS Number: 30516-87-1
Molecular Mass: 267.24 g/mol
Formula: C10H13N5O4
Smiles: [N-]=[N+]=NC1CC(OC1CO)N2C=C(C(=O)NC2=O)C
Synonymes:
Zidovudine, Thymidine, 3′-azido-3′-deoxy-, 3′-Azido-3′-deoxythymidine, Azidothymidine, 3′-Deoxy-3′-azidothymidine, AZT, BW-A 509U, AZT (pharmaceutical), Retrovir, 3′-Azidothymidine, NSC 602670, Azitidin, ZDV, Timazid, Retrovir IV, ZVD, 3-Azido-3-deoxythymidine, Compound S, Viro-Z, Zido-H, Retrovis, 3′-AZT, Combvir
Bioactivity: Nucleoside reverse transcriptase inhibitor (NRTI)
Solubility in Different Solvents
| Solvent | Temperature [K] | Crystal form | Solubility [mg/mL] | Reference |
|---|---|---|---|---|
| Acetonitrile | 298.0 | - | 47.2? | - |
| Cyclohexane | 298.0 | - | 0.018? | - |
Thermodynamic parameters of solution
| Solvent | Temperature [K] | Crystal form | ΔHsol [kJ/mol] | ΔSsol [J/mol/K] | ΔGsol [kJ/mol] | Reference |
|---|---|---|---|---|---|---|
| Acetonitrile | 298.0 | - | - | - | 4.29 | - |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 756.7918 |
| PMI2 | 2418.4580 |
| PMI3 | 2964.1782 |
| NPR1 | 0.2553 |
| NPR2 | 0.8159 |
| RadiusOfGyration | 3.3892 |
| InertialShapeFactor | 0.0011 |
| Eccentricity | 0.9669 |
| Asphericity | 0.4209 |
| SpherocityIndex | 0.1750 |
| PBF | 0.7399 |