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Pheneticillin

CAT: 0013-GTR19229848-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19229848-03Size:100 mg
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Description
Pheneticillin is a semisynthetic penicillin antibiotic used in research to study its antibacterial mechanisms and efficacy. It is applied in both in vitro susceptibility testing and in vivo models of bacterial infection.
CAS Number
147-55-7
Field of Research
Pharmacology & Drug Discovery
Smiles
C (O) (=O) [C@@H]1N2[C@@] ([C@H] (NC (C (OC3=CC=CC=C3) C) =O) C2=O) (SC1 (C) C) [H]
Molecular Formula
C17H20N2O5S
Molecular Weight
364.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Phenethicillin

Phenethicillin is a penicillin in which the substituent at position 6 of the penam ring is a 2-phenoxypropanamido group. It is a penicillin and a penicillin allergen. It is a conjugate acid of a phenethicillin(1-).

CAS Number147-55-7
PubChem CID272833
IUPAC Name(2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenoxypropanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Molecular FormulaC17H20N2O5S
Molecular Weight364.4
XLogP2.2
Topological Polar Surface Area121
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity575
SMILES
CC(C(=O)N[C@H]1[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)O)OC3=CC=CC=C3
InChI
InChI=1S/C17H20N2O5S/c1-9(24-10-7-5-4-6-8-10)13(20)18-11-14(21)19-12(16(22)23)17(2,3)25-15(11)19/h4-9,11-12,15H,1-3H3,(H,18,20)(H,22,23)/t9?,11-,12+,15-/m1/s1
InChIKey
NONJJLVGHLVQQM-JHXYUMNGSA-N
Chemical Structure
2D Structure
2D structure of Phenethicillin
CAS: 147-55-7
CID: 272833
Formula: C17H20N2O5S
MW: 364.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight364.4
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass364.10929292
Monoisotopic Mass364.10929292
Topological Polar Surface Area121 Ų
Heavy Atom Count25
Formal Charge0
Complexity575
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19231222-01Phenethicillin sodium
GTR19199795-01Phenethicillin potassium

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T0149-01Pheneticillin
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