Sitafloxacin Sesquihydrate

Product Specifications

CAS Number

163253-35-8

Synonyms

3-Quinolinecarboxylic acid, 7-[(7S)-7-amino-5-azaspiro[2.4]hept-5-yl]-8-chloro-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-1,4-dihydro-4-oxo-, hydrate (2:3); 3-Quinolinecarboxylic acid, 7-(7-amino-5-azaspiro[2.4]hept-5-yl)-8-chloro-6-fluoro-1-(2-fluorocyclopropyl)-1,4-dihydro-4-oxo-, hydrate (2:3), [1R-[1α(S*),2α]]-; Sitafloxacin sesquihydrate

Hazard Statement

Harmful if swallowed

Purity

>95% (HPLC)

Smiles

O.O.O.N[C@@H]1CN(CC12CC2)c3c(F)cc4C(=O)C(=CN([C@@H]5C[C@@H]5F)c4c3Cl)C(=O)O.N[C@@H]6CN(CC67CC7)c8c(F)cc9C(=O)C(=CN([C@@H]%10C[C@@H]%10F)c9c8Cl)C(=O)O

Molecular Formula

2 C19 H18 Cl F2 N3 O3 . 3 H2 O

Molecular Weight

873.67

InChI

InChI=1S/2C19H18ClF2N3O3.3H2O/c2*20-14-15-8(17(26)9(18(27)28)5-25(15)12-4-10(12)21)3-11(22)16(14)24-6-13(23)19(7-24)1-2-19;;;/h2*3,5,10,12-13H,1-2,4,6-7,23H2,(H,27,28);3*1H2/t2*10-,12+,13+;;;/m00.../s1