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Product Overview

Product Code

TRC-S490920

CAS Number

163253-35-8

Product Format

Neat

Molecular Formula

2 C19 H18 Cl F2 N3 O3 . 3 H2 O

Molecular Weight

873.67

API Family

Sitafloxacin Sesquihydrate

Product Categories

TRC, Research Tools, API Reference Standards & Research Materials, Antibacterial, Antibacterial, Other antibacterials

Product Type

API

Purity

>95% (HPLC)

Drug Type

Antibacterials

Documentation

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Product Information

Chemical Data

Analyte Name

Sitafloxacin Sesquihydrate

CAS Number

163253-35-8

Molecular Formula

2 C19 H18 Cl F2 N3 O3 . 3 H2 O

Molecular Weight

873.67

Accurate Mass

872.2326

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

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

IUPAC

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;trihydrate

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Sitafloxacin Sesquihydrate

Purity

>95% (HPLC)

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