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Flucloxacillin

CAT: 0013-GTR19220990-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19220990-01Size:5 mg
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Description
Flucloxacillin is a broad-spectrum penicillin antibiotic active against gram-positive and gram-negative bacteria. It is widely used in research for studying bacterial resistance mechanisms and for in vitro susceptibility testing and in vivo infection models.
CAS Number
5250-39-5
Field of Research
Infectious Disease & Virology
Smiles
C (O) (=O) [C@@H]1N2[C@@] ([C@H] (NC (=O) C=3C (=NOC3C) C4=C (Cl) C=CC=C4F) C2=O) (SC1 (C) C) [H]
Molecular Formula
C19H17ClFN3O5S
Molecular Weight
453.87
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Flucloxacillin

Flucloxacillin is a penicillin compound having a 6beta-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamido] side-chain. It has a role as an antibacterial drug. It is a penicillin and a penicillin allergen. It is a conjugate acid of a flucloxacillin(1-).

CAS Number5250-39-5
PubChem CID21319
IUPAC Name(2S,5R,6R)-6-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Molecular FormulaC19H17ClFN3O5S
Molecular Weight453.9
XLogP2.6
Topological Polar Surface Area138
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity758
SMILES
CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O
InChI
InChI=1S/C19H17ClFN3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)/t13-,14+,17-/m1/s1
InChIKey
UIOFUWFRIANQPC-JKIFEVAISA-N
Chemical Structure
2D Structure
2D structure of Flucloxacillin
CAS: 5250-39-5
CID: 21319
Formula: C19H17ClFN3O5S
MW: 453.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight453.9
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass453.0561477
Monoisotopic Mass453.0561477
Topological Polar Surface Area138 Ų
Heavy Atom Count30
Formal Charge0
Complexity758
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

Alternative Products

CatalogName
T75277-01Flucloxacillin
HY-A0246A-01Flucloxacillin sodium

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