Atorvastatin
Catalog No: FT-0601592
CAS No: 134523-00-5
- Molecular Formula: 558.6
- Formula Weight: C33H35FN2O5
- Inchl Key: XUKUURHRXDUEBC-KAYWLYCHSA-N
- Inchl: InChI=1S/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27-/m1/s1
| Assay | Pack | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| Melting_Point: | 176-178°C |
|---|---|
| CAS: | 134523-00-5 |
| MF: | C66H68CaF2N4O10 |
| Flash_Point: | 390.6±32.9 °C |
| Product_Name: | Atorvastatin |
| Density: | 1.2±0.1 g/cm3 |
| FW: | 558.640 |
| Bolling_Point: | 722.2±60.0 °C at 760 mmHg |
| Refractive_Index: | 1.603 |
|---|---|
| Vapor_Pressure: | 0.0±2.5 mmHg at 25°C |
| Flash_Point: | 390.6±32.9 °C |
| LogP: | 4.13 |
| Bolling_Point: | 722.2±60.0 °C at 760 mmHg |
| FW: | 558.640 |
| PSA: | 229.24000 |
| Computational_Chemistry: | ['1. XlogP :5 ', '2. Hydrogen Bond Donor Count :4 ', '3. Hydrogen Bond Acceptor Count :6 ', '4. Rotatable Bond Count :12 ', '5. Isotope Atom Count :2 ', '6. TPSA 112 ', '7. Heavy Atom Count :41 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :822 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :2 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1'] |
| Melting_Point: | 176-178°C |
| MF: | C66H68CaF2N4O10 |
| Exact_Mass: | 558.252991 |
| Molecular_Structure: | ['1 . Molar refractive index 15521 ', '2 . Molar volume 4519 ', '3 . Parachor （902K）11766 ', '4 . Surface tension 459 ', '5 . Polarizability 6153'] |
| Density: | 1.2±0.1 g/cm3 |
| More_Info: | ['1. Melting point（ºC）176~178。'] |
| Hazard_Class: | 8 |
|---|---|
| Risk_Statements(EU): | R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . R36/37/38:Irritating to eyes, respiratory system and skin . |
| WGK_Germany: | 2 |
| RIDADR: | UN 3261 8/PG 2 |
| Hazard_Codes: | Xn |
| HS_Code: | 2942000000 |
| Safety_Statements: | S26-S36/37/39-S45 |
| Packing_Group: | III |
