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Sitafloxacin monohydrate

CAT: 0862-GA7129-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0862-GA7129-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
163253-35-8
HS Code
29334990
Purity
98.00%
Molecular Formula
C19H20ClF2N3O4
Molecular Weight
427.83
Storage Conditions
-20°C
Hazardous Class
Not hazardous

Chemical Information

Sitafloxacin

Sitafloxacin is a member of quinolines, a quinolone antibiotic and a fluoroquinolone antibiotic.

CAS Number163253-35-8
PubChem CID461399
IUPAC Name7-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-8-chloro-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylic acid
Molecular FormulaC19H18ClF2N3O3
Molecular Weight409.8
XLogP0.7
Topological Polar Surface Area86.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity761
SMILES
C1CC12CN(C[C@H]2N)C3=C(C=C4C(=C3Cl)N(C=C(C4=O)C(=O)O)[C@@H]5C[C@@H]5F)F
InChI
InChI=1S/C19H18ClF2N3O3/c20-14-15-8(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/h3,5,10,12-13H,1-2,4,6-7,23H2,(H,27,28)/t10-,12+,13+/m0/s1
InChIKey
PNUZDKCDAWUEGK-CYZMBNFOSA-N
Chemical Structure
2D Structure
2D structure of Sitafloxacin
CAS: 163253-35-8
CID: 461399
Formula: C19H18ClF2N3O3
MW: 409.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight409.8
XLogP30.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass409.1004755
Monoisotopic Mass409.1004755
Topological Polar Surface Area86.9 Ų
Heavy Atom Count28
Formal Charge0
Complexity761
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS5817213Sitafloxacin monohydrate
HY-B0395BSitafloxacin (monohydrate)
B3322-5Sitafloxacin
B2150-5.1Sitafloxacin Hydrate
FS27840-01Sitafloxacin sesquihydrate
HY-B0395ASitafloxacin (hydrochloride)
A10847-100Sitafloxacin 100mg
A10847-50Sitafloxacin 50mg

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