7-[(4S)-4-amino-6-azaspiro[2.4]heptan-6-yl]-8-chloro-6-fluoro-1-[(2S)-2-fluorocyclopropyl]-4-oxo-quinoline-3-carboxylic acid hydrate (CAS 163253-35-8) — formula C19H18ClF2N3O3, molecular weight 409.8; category organic chemicals.
| CAS Number | 163253-35-8 |
|---|---|
| Molecular Formula | C19H18ClF2N3O3 |
| Molecular Weight | 409.8 |
| LogP | 0.7 |
| Category | Organic Chemicals |
7-[(4S)-4-amino-6-azaspiro[2.4]heptan-6-yl]-8-chloro-6-fluoro-1-[(2S)-2-fluorocyclopropyl]-4-oxo-quinoline-3-carboxylic acid hydrate is a carbon-based organic compound with CAS registry number 163253-35-8 and molecular formula C19H18ClF2N3O3 (molecular weight 409.8), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 163253-35-8
Its molecular formula C19H18ClF2N3O3 comprises 19 C, 18 H, 1 Cl, 2 F, 3 N, 3 O atoms.
Also known as: 7-[(4S)-4-amino-6-azaspiro[2.4]heptan-6-yl]-8-chloro-6-fluoro-1-[(2S)-2-fluorocyclopropyl]-4-oxo-quinoline-3-carboxylic acid hydrate · 西他沙星
Category: organic chemicals
The CAS registry number of 7-[(4S)-4-amino-6-azaspiro[2.4]heptan-6-yl]-8-chloro-6-fluoro-1-[(2S)-2-fluorocyclopropyl]-4-oxo-quinoline-3-carboxylic acid hydrate is 163253-35-8.
Molecular formula C19H18ClF2N3O3, molecular weight 409.8.
It is also registered under: 7-[(4S)-4-amino-6-azaspiro[2.4]heptan-6-yl]-8-chloro-6-fluoro-1-[(2S)-2-fluorocyclopropyl]-4-oxo-quinoline-3-carboxylic acid hydrate, 西他沙星.
Category: Organic Chemicals.
Independent reference data for 7-[(4S)-4-amino-6-azaspiro[2.4]heptan-6-yl]-8-chloro-6-fluoro-1-[(2S)-2-fluorocyclopropyl]-4-oxo-quinoline-3-carboxylic acid hydrate (CAS 163253-35-8), compiled from public chemistry databases.
| CAS 号 | 163253-35-8 |
|---|---|
| PubChem CID | 461399 |
| 分子式 | C19H18ClF2N3O3 |
| IUPAC 名称 | 7-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-8-chloro-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylic acid |
| UNII（FDA） | 3GJC60U4Q8 |
| Molecular Weight | 409.8 |
|---|---|
| XLogP3 | 0.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 3 |
| Exact Mass | 409.1004755 |
| Monoisotopic Mass | 409.1004755 |
| Topological Polar Surface Area | 86.9 |
| Heavy Atom Count | 28 |
Sitafloxacin; 127254-12-0; Sitafloxacin hydrate; Gracevit; 163253-35-8; Sitafloxacin Sesquihydrate; DU-6859a; DU 6859; sitafloxacine; sitafloxacino; DTXSID5048847; sitafloxacinum; RefChem:183248; J01MA21; DTXCID001508649; 9TD681796G
西他沙星 · CAS 163253-35-8 · C19H18ClF2N3O3. UNII 3GJC60U4Q8.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 西他沙星