Upadacitinib hemihydrate (CAS 2050057-56-0) — formula C34H40F6N12O3, molecular weight 778.8; category organic chemicals.
| CAS Number | 2050057-56-0 |
|---|---|
| Molecular Formula | C34H40F6N12O3 |
| Molecular Weight | 778.8 |
| Category | Organic Chemicals |
Upadacitinib hemihydrate is a carbon-based organic compound with CAS registry number 2050057-56-0 and molecular formula C34H40F6N12O3 (molecular weight 778.8), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 2050057-56-0
Its molecular formula C34H40F6N12O3 comprises 34 C, 40 H, 6 F, 12 N, 3 O atoms.
Also known as: Upadacitinib hemihydrate · 乌帕替尼半水合物
Category: organic chemicals
The CAS registry number of Upadacitinib hemihydrate is 2050057-56-0.
Molecular formula C34H40F6N12O3, molecular weight 778.8.
It is also registered under: Upadacitinib hemihydrate, 乌帕替尼半水合物.
Category: Organic Chemicals.
Independent reference data for Upadacitinib hemihydrate (CAS 2050057-56-0), compiled from public chemistry databases.
| CAS Registry Number | 2050057-56-0 |
|---|---|
| PubChem CID | 133053456 |
| Molecular formula | C34H40F6N12O3 |
| IUPAC name | bis((3S,4R)-3-ethyl-4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide);hydrate |
| UNII (FDA) | NEW4DV02U5 |
| Molecular Weight | 778.8 |
|---|---|
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 6 |
| Exact Mass | 778.32505216 |
| Monoisotopic Mass | 778.32505216 |
| Topological Polar Surface Area | 158 |
| Heavy Atom Count | 55 |
Upadacitinib hemihydrate; 2050057-56-0; RINVOQ LQ; NEW4DV02U5; RefChem:1100658; Rinvoq; Upadacitinib hydrate (JAN); UPADACITINIB HYDRATE [JAN]; upadacitinib hydrate; Rinvoq (TN); UNII-NEW4DV02U5; Upadacitinib (as hemihydrate); CHEMBL5315119; EBC-134021; UPADACITINIB HEMIHYDRATE [WHO-DD]; AC-37935
Upadacitinib hemihydrate · CAS 2050057-56-0 · C34H40F6N12O3. UNII NEW4DV02U5.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 乌帕替尼半水合物