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Penicillin V potassium salt

CAT: 0926-FP26794-01Size: 50 gDry Ice: NoHazardous: No
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CAS Number
132-98-9
Synonyms
(2S,5R,6R) -3,3-Dimethyl-7-oxo-6-[ (2-phenoxyacetyl) amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid potassium
MDL Number
MFCD00051771
Smiles
CC1 ([C@@H] (N2[C@H] (S1) [C@@H] (C2=O) NC (=O) COC3=CC=CC=C3) C (=O) [O-]) C.[K+]
Molecular Formula
C16H17KN2O5S
Molecular Weight
388.48 g/mol
Controlled
No

Chemical Information

Penicillin V Potassium

Phenoxymethylpenicillin potassium is an organic potassium salt. It contains a phenoxymethylpenicillin(1-).

CAS Number132-98-9
PubChem CID23676814
IUPAC Namepotassium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Molecular FormulaC16H17KN2O5S
Molecular Weight388.5
Topological Polar Surface Area124
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity553
SMILES
CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)COC3=CC=CC=C3)C(=O)[O-])C.[K+]
InChI
InChI=1S/C16H18N2O5S.K/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9;/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);/q;+1/p-1/t11-,12+,14-;/m1./s1
InChIKey
HCTVWSOKIJULET-LQDWTQKMSA-M
Chemical Structure
2D Structure
2D structure of Penicillin V Potassium
CAS: 132-98-9
CID: 23676814
Formula: C16H17KN2O5S
MW: 388.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight388.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass388.04952431
Monoisotopic Mass388.04952431
Topological Polar Surface Area124 Ų
Heavy Atom Count25
Formal Charge0
Complexity553
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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C7123-200Penicillin V potassium salt
P3199-01Penicillin G Potassium Salt
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