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Sarafloxacin-d8

CAT: 0804-HY-B0343SSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B0343SSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Sarafloxacin-d8 is the deuterium labeled Sarafloxacin.Sarafloxacin (A-56620) is a fluoroquinolone antimicrobial agent[1].
CAS Number
1352879-52-7
Product Name Alternative
A-56620-d8
UNSPSC
12352005
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Applications
COVID-19-immunoregulation
Field of Research
Infection
Smiles
O=C(C1=CN(C2=CC=C(F)C=C2)C3=C(C=C(F)C(N4C([2H])([2H])C([2H])([2H])NC([2H])([2H])C4([2H])[2H])=C3)C1=O)O
Molecular Formula
C20H9D8F2N3O3
Molecular Weight
393.41
References & Citations
[1]M L McConville, et al. Effects of sarafloxacin hydrochloride on human enteric bacteria under simulated human gut conditions. Vet Q. 1995 Mar;17 (1) :1-5.|[2]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53 (2) :211-216.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Sarafloxacin Hydrochloride

Sarafloxacin hydrochloride is a member of quinolines.

CAS Number1352879-52-7
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: 1352879-52-7
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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