21-Acetoxy-6α-fluoro-16α,17-(isopropylidenedioxy)pregna-1,4,9(11)-triene-3,20-dione (CAS 5049-89-8) — formula C20H25F3N4, molecular weight 378.4; category organic chemicals.
21-Acetoxy-6α-fluoro-16α,17-(isopropylidenedioxy)pregna-1,4,9(11)-triene-3,20-dione is a carbon-based organic compound with CAS registry number 5049-89-8 and molecular formula C20H25F3N4 (molecular weight 378.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 5049-89-8
Its molecular formula C20H25F3N4 comprises 20 C, 25 H, 3 F, 4 N atoms.
Also known as: 21-Acetoxy-6α-fluoro-16α,17-(isopropylidenedioxy)pregna-1,4,9(11)-triene-3,20-dione · 9,11-脱氢氟尼缩松醋酸酯
Category: organic chemicals
The CAS registry number of 21-Acetoxy-6α-fluoro-16α,17-(isopropylidenedioxy)pregna-1,4,9(11)-triene-3,20-dione is 5049-89-8.
Molecular formula C20H25F3N4, molecular weight 378.4.
It is also registered under: 21-Acetoxy-6α-fluoro-16α,17-(isopropylidenedioxy)pregna-1,4,9(11)-triene-3,20-dione, 9,11-脱氢氟尼缩松醋酸酯.
Category: Organic Chemicals.
Public-database records for 21-Acetoxy-6α-fluoro-16α,17-(isopropylidenedioxy)pregna-1,4,9(11)-triene-3,20-dione (CAS 5049-89-8), reproduced here for independent cross-checking.
| CAS 号 | 5049-89-8 |
|---|---|
| PubChem CID | 5254312 |
| 分子式 | C20H25F3N4 |
| IUPAC 名称 | 3-(piperidin-1-ylmethyl)-1-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine |
DTXSID80422488; 3-(piperidin-1-ylmethyl)-1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine; 3-[(Piperidin-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine
| 分子量 | 378.4 |
|---|---|
| XLogP3 | 4.6 |
| 氢键供体数 | 1 |
| 氢键受体数 | 6 |
| 可旋转键数 | 3 |
| 精确质量 | 378.20313130 |
| 单同位素质量 | 378.20313130 |
| 拓扑极性表面积 | 33.1 |
| 重原子数 | 27 |
| 形式电荷 | 0 |
9,11-脱氢氟尼缩松醋酸酯 · CAS 5049-89-8 · C20H25F3N4.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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