Keto-itraconazole
Modify Date: 2025-08-25 23:11:21
Keto-itraconazole structure
|
Common Name | Keto-itraconazole | ||
|---|---|---|---|---|
| CAS Number | 112560-33-5 | Molecular Weight | 719.61700 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C35H36Cl2N8O5 | Melting Point | 151-154℃ | |
| MSDS | N/A | Flash Point | N/A | |
Use of Keto-itraconazoleKeto-itraconazole is a metabolite of Itraconazole. |
| Name | 4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-(3-oxobutan-2-yl)-1,2,4-triazol-3-one |
|---|---|
| Synonym | More Synonyms |
| Melting Point | 151-154℃ |
|---|---|
| Molecular Formula | C35H36Cl2N8O5 |
| Molecular Weight | 719.61700 |
| Exact Mass | 718.21900 |
| PSA | 121.77000 |
| LogP | 4.88630 |
| InChIKey | GZEZATDDANETAV-QQPVTLCMSA-N |
| SMILES | CC(=O)C(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O |
| keto-ITZ |
| Keto Itraconazole |
| rel-4-[4-[4-[4-[[(2R,4S)-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]-2,4-dihydro-2-(1-methyl-2-oxopropyl)-3H-1,2,4-triazol-3-one |