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27025-49-6

Basic Information
CAS No.: 27025-49-6
Name: CARBENICILLIN PHENYL SODIUM
Article Data: 2
Molecular Structure:
Molecular Structure of 27025-49-6 (CARBENICILLIN PHENYL SODIUM)
Formula: C23H22 N2 O6 S
Molecular Weight: 454.503
Synonyms: 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 6-[(1,3-dioxo-3-phenoxy-2-phenylpropyl)amino]-3,3-dimethyl-7-oxo-, [2S-(2a,5a,6b)]-; Malonamic acid,N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-6-yl)-2-phenyl-,1-phenyl ester (8CI); 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,6-(2-carboxy-2-phenylacetamido)-3,3-dimethyl-7-oxo-, 6-phenyl ester (8CI);Carbenicillin phenyl; Carbenicillin phenyl ester; Carfecillin
Density: 1.44g/cm3
Boiling Point: 770.9°Cat760mmHg
Flash Point: 420°C
Safety: Moderately toxic by ingestion, intraperitoneal, and intravenous routes. When heated to decomposition it emits very toxic fumes of NOx and SOx. See also CARBENICILLIN PHENYL SODIUM and ESTERS.
PSA: 141.80000
LogP: 2.78570
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Chemistry

Chemistry informtion about Carbenicillin Phenyl (CAS NO.27025-49-6) is:
IUPAC Name: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(3-oxo-3-phenoxy-2-phenylpropanoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Synonyms: Carbenicillin Phenyl Sodium ; Carfecillin ; 1-Phenylester ; Carbenicillinphenyl ; Carbenicillinphenylester ; 6-[(1,3-Dioxo-3-Phenoxy-2-Phenylpropyl)Amino]-3,3-Dimethyl-7-Oxo-[S-(2,5,6)]4-Thia-1-Azobycyclo[3,2,0]Pentane-2-Carbonic Acid ; 6α-[(1,3-Dioxo-3-Phenoxy-2-Phenylpropyl)Amino]Penicillanic Acid ; N-[(2s,5β)-2β-Carboxy-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Hept-6α-Yl]Phenylmalonamidic Acid 1-Phenyl Ester
MF: C23H21N2O6S
MW: 476.48
EINECS: 248-171-2 
Density: 1.44 g/cm3
Flash Point: 420 °C
Boiling Point: 770.9 °C at 760 mmHg
Vapour Pressure: 5.33E-25 mmHg at 25°C 
Enthalpy of Vaporization: 117.73 kJ/mol
Following is the molecular structure of Carbenicillin Phenyl (CAS NO.27025-49-6) is:

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 728mg/kg (728mg/kg)

blood: agranulocytosis blood: thrombocytopenia

Antibiotiki. Vol. 25, Pg. 513, 1980.
mouse LD50 oral 3924mg/kg (3924mg/kg)

blood: agranulocytosis blood: thrombocytopenia

Antibiotiki. Vol. 25, Pg. 513, 1980.
rat LD50 intraperitoneal 980mg/kg (980mg/kg)   Antibiotiki. Vol. 25, Pg. 513, 1980.

Safety Profile

Moderately toxic by ingestion, intraperitoneal, and intravenous routes. When heated to decomposition it emits very toxic fumes of NOx and SOx. See also CARBENICILLIN PHENYL SODIUM and ESTERS.