trans-Itraconazole structure
|
Common Name | trans-Itraconazole | ||
|---|---|---|---|---|
| CAS Number | 252964-65-1 | Molecular Weight | 705.63300 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C35H38Cl2N8O4 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
| Name | trans-Itraconazole |
|---|---|
| Synonym | More Synonyms |
| Molecular Formula | C35H38Cl2N8O4 |
|---|---|
| Molecular Weight | 705.63300 |
| Exact Mass | 704.23900 |
| PSA | 104.70000 |
| LogP | 5.70730 |
| InChIKey | VHVPQPYKVGDNFY-KKHGCVKGSA-N |
| SMILES | CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O |
| 2-sec-Butyl-4-{4-[4-(4-{[(2R)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4- triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-1-piperazin yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one |