Posaconazole (CAS 171228-49-2) — formula C37H42F2N8O4, molecular weight 700.8; category organic chemicals.
Posaconazole is a carbon-based organic compound with CAS registry number 171228-49-2 and molecular formula C37H42F2N8O4 (molecular weight 700.8), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 171228-49-2
Its molecular formula C37H42F2N8O4 comprises 37 C, 42 H, 2 F, 8 N, 4 O atoms.
Also known as: Posaconazole
Category: organic chemicals
The CAS registry number of Posaconazole is 171228-49-2.
Molecular formula C37H42F2N8O4, molecular weight 700.8.
It is also registered under: Posaconazole.
Category: Organic Chemicals.
Public-database records for Posaconazole (CAS 171228-49-2), reproduced here for independent cross-checking.
| 溶解度 | 1.20e-02 g/L |
|---|---|
| LogP | 5.5 |
| CAS Registry Number | 171228-49-2 |
|---|---|
| PubChem CID | 147912 |
| 分子式 | C37H42F2N8O4 |
| IUPAC 名称 | 4-[4-[4-[4-[[(5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-[(2S,3S)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one |
| UNII（FDA） | BDBM213824 |
SR-01000942256; DSSTox_GSID_49066; NCGC00185736-01; SCHEMBL37449; CHEMBL221872; BDBM213824; AKOS015902506; NCGC00185736-02; SR-01000942256-1; SR-01000942256-2; Q56867649
| 分子量 | 700.8 |
|---|---|
| XLogP3 | 4.6 |
| 氢键供体数 | 1 |
| 氢键受体数 | 11 |
| 可旋转键数 | 12 |
| 精确质量 | 700.32970817 |
| 单同位素质量 | 700.32970817 |
| 拓扑极性表面积 | 112 |
| 重原子数 | 51 |
| 形式电荷 | 0 |
Posaconazole · CAS 171228-49-2 · C37H42F2N8O4. UNII BDBM213824. 溶解度: 1.20e-02 g/L; LogP: 5.5.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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