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Phenethicillin sodium

CAT: 0013-GTR19231222-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19231222-01Size:5 mg
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Description
Phenethicillin sodium is a semisynthetic penicillin antibiotic used in research for its antimicrobial properties. It serves as a tool for studying bacterial resistance mechanisms and evaluating antibiotic efficacy in both in vitro susceptibility assays and in vivo infection models.
CAS Number
30302-52-4
Field of Research
Infectious Disease & Virology
Smiles
[O-]C ([C@@H]1N2[C@@] (SC1 (C) C) ([H]) [C@@H] (C2=O) NC (C (C) OC3=CC=CC=C3) =O) =O.[Na+]
Molecular Formula
C17H19N2NaO5S
Molecular Weight
386.4
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Phenethicillin Sodium Salt
CAS Number30302-52-4
PubChem CID139025655
IUPAC Namesodium (2S,6R)-3,3-dimethyl-7-oxo-6-(2-phenoxypropanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Molecular FormulaC17H19N2NaO5S
Molecular Weight386.4
Topological Polar Surface Area124
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity582
SMILES
CC(C(=O)N[C@H]1C2N(C1=O)[C@H](C(S2)(C)C)C(=O)[O-])OC3=CC=CC=C3.[Na+]
InChI
InChI=1S/C17H20N2O5S.Na/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);/q;+1/p-1/t9?,11-,12+,15?;/m1./s1
InChIKey
HZRQUJWXQAEVBK-BWVWTODUSA-M
Chemical Structure
2D Structure
2D structure of Phenethicillin Sodium Salt
CAS: 30302-52-4
CID: 139025655
Formula: C17H19N2NaO5S
MW: 386.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight386.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass386.09123717
Monoisotopic Mass386.09123717
Topological Polar Surface Area124 Ų
Heavy Atom Count26
Formal Charge0
Complexity582
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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