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20520-33-6

Basic Information
CAS No.: 20520-33-6
Name: 3,3-Dimethyl-6-((2,2-dimethyl-1-oxopropyl)amino)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid monosodium salt
Molecular Structure:
Molecular Structure of 20520-33-6 (3,3-Dimethyl-6-((2,2-dimethyl-1-oxopropyl)amino)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid monosodium salt)
Formula: C13H19N2NaO4S
Molecular Weight: 322.3557
Synonyms: tert-Butylpenicillin sodium salt;4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-pivalamido-, Na;sodium (2S,5R,6R)-6-(2,2-dimethylpropanoylamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;
Density: g/cm3
Boiling Point: 575.2°Cat760mmHg
Flash Point: 301.6°C
PSA: 114.84000
LogP: -0.34170
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Chemistry

IUPAC Name: Sodium (2S,5R,6R)-6-(2,2-dimethylpropanoylamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Synonyms of 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-6-((2,2-dimethyl-1-oxopropyl)amino)-7-oxo-, monosodium salt (CAS NO.20520-33-6): 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-pivalamido- ; tert-Butylpenicillin sodium salt
CAS NO: 20520-33-6
Molecular Formula of 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-6-((2,2-dimethyl-1-oxopropyl)amino)-7-oxo-, monosodium salt (CAS NO.20520-33-6): C13H19N2NaO4S
Molecular Weight: 322.3557
Molecular Structure:

H bond acceptors: 6
H bond donors: 2
Freely Rotating Bonds: 3
Polar Surface Area: 103.22 Å2
Flash Point: 301.6 °C
Enthalpy of Vaporization: 94.15 kJ/mol
Boiling Point: 575.2 °C at 760 mmHg
Vapour Pressure of 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-6-((2,2-dimethyl-1-oxopropyl)amino)-7-oxo-, monosodium salt (CAS NO.20520-33-6): 9.99E-15 mmHg at 25°C

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 2231mg/kg (2231mg/kg)   Farmakologiya i Toksikologiya Vol. 31, Pg. 232, 1968.