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Benzylpenicillin potassium

CAT: 0607-C7124-250Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0607-C7124-250Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
113-98-4
Product Name Alternative
potassium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Sequence
Benzylpenicillin potassium
Field of Research
Anti-infection Bacterial
Purity
0.98
Solubility
≥15.6mg/mL in DMSO with ultrasonic; insoluble in EtOH; ≥48.9 mg/mL in H2O
Smiles
O=C(O[K])[C@H](N1C2=O)C(C)(S[C@@]1([C@@H]2NC(CC3=CC=CC=C3)=O)[H])C
Molecular Formula
C16H17KN2O4S
Molecular Weight
372.48
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Penicillin G Potassium

Benzylpenicillin potassium is organic potassium salt of benzylpenicillin. It contains a benzylpenicillin(1-).

CAS Number113-98-4
PubChem CID23664709
IUPAC Namepotassium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Molecular FormulaC16H17KN2O4S
Molecular Weight372.5
Topological Polar Surface Area115
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity536
SMILES
CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)[O-])C.[K+]
InChI
InChI=1S/C16H18N2O4S.K/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);/q;+1/p-1/t11-,12+,14-;/m1./s1
InChIKey
IYNDLOXRXUOGIU-LQDWTQKMSA-M
Chemical Structure
2D Structure
2D structure of Penicillin G Potassium
CAS: 113-98-4
CID: 23664709
Formula: C16H17KN2O4S
MW: 372.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight372.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass372.05460969
Monoisotopic Mass372.05460969
Topological Polar Surface Area115 Ų
Heavy Atom Count24
Formal Charge0
Complexity536
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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