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Sarafloxacin HCl

CAT: 0957-S1977-50mgSize: 50 mgDry Ice: YesHazardous: No
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CAT#:0957-S1977-50mgSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
91296-87-6
Synonyms
A-56620 HCl
Target
Antibiotics
Applications
Microbiology
Smiles
C1CN (CCN1) C2=C (C=C3C (=C2) N (C=C (C3=O) C (=O) O) C4=CC=C (C=C4) F) F.Cl
Molecular Formula
C20H17F2N3O3.HCl
Additionnal Information
Sarafloxacin HCl (A-56620) is a hydrochloride salt form of sarafloxacin which is a quinolone antibiotic drug with IC50 of 0.96 μg/L.
Storage Conditions
2 years -80 in solvent

Chemical Information

Sarafloxacin Hydrochloride

Sarafloxacin hydrochloride is a member of quinolines.

CAS Number91296-87-6
PubChem CID56207
IUPAC Name6-fluoro-1-(4-fluorophenyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid;hydrochloride
Molecular FormulaC20H18ClF2N3O3
Molecular Weight421.8
Topological Polar Surface Area72.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity645
SMILES
C1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F.Cl
InChI
InChI=1S/C20H17F2N3O3.ClH/c21-12-1-3-13(4-2-12)25-11-15(20(27)28)19(26)14-9-16(22)18(10-17(14)25)24-7-5-23-6-8-24;/h1-4,9-11,23H,5-8H2,(H,27,28);1H
InChIKey
KNWODGJQLCISLC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sarafloxacin Hydrochloride
CAS: 91296-87-6
CID: 56207
Formula: C20H18ClF2N3O3
MW: 421.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight421.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass421.1004755
Monoisotopic Mass421.1004755
Topological Polar Surface Area72.9 Ų
Heavy Atom Count29
Formal Charge0
Complexity645
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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