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Phenethicillin Sodium Salt

CAT: 0572-TRC-P296320-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P296320-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
30302-52-4
Synonyms
Pheneticillin Sodium Salt; Phenoxy PC Sodium Salt; Phenoxyethylpenicillin Sodium Salt; Synthepen Sodium Salt; α-Phenoxyethylpenicillin Sodium Salt; 1-Phenoxyethylpenicillin Sodium Salt; Alfacilin Sodium Salt; Feneticillin Sodium Salt; NSC 117548 Sodium Salt; Optipen Sodium Salt; Penicillin 152 Sodium Salt; Penicillin MV Sodium Salt; Peniplus Sodium Salt; Penorale Sodium Salt; Penova Sodium Salt; (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-[(1-oxo-2-phenoxypropyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid Sodium Salt
Hazard Statement
Harmful if swallowed.
Smiles
O=C1[C@@H](NC(C(OC2=CC=CC=C2)C)=O)C3N1[C@@H](C(O[Na])=O)C(C)(C)S3
Molecular Formula
C17H19N2NaO5S
Molecular Weight
386.4
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

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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