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Sulbenicillin

Therapeutic use

Dosage and Administration

Adults

Toxicology

Pharmacokinetic data

Bioavailability  
Protein binding  
Metabolism  
Half-life  
Cmax (mg/ml)  
tmax (hrs)  
Distribution volume Vd  
Clearance  
Excretion  

Absorption

Distribution

Excretion

Metabolism

Mechanism of Action

Antibacterial activity

 


Medicinal Chemistry

CAS number: 28002-18-8 EINECS: 255-528-6

Molecular Formula: C16H18N2O7S2
Average mass: 414.453308 Da
Monoisotopic mass:  414.055542 Da

Systematic name: (2S,5R,6R)-3,3-dimethyl-7-oxo-6- [(2-phenyl-2-sulfoacetyl)amino] -4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)S(=O)(=O)O)C(=O)O)C
Std. InChI: InChI=1S/C16H18N2O7S2/c1-16(2)11(15(21)22)18-13(20)9(14(18)26-16)17-12(19)10(27(23,24)25)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,17,19)(H,21,22)(H,23,24,25)/t9-,10-,11+,14-/m1/s1


Properties

Melting Point: 197C

LogP: 0.59

ACD/LogP: -0.100.49 # of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): -4.84 ACD/LogD (pH 7.4): -4.85
ACD/BCF (pH 5.5): 1.00 ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 5.5): 1.00 ACD/KOC (pH 7.4): 1.00
#H bond acceptors: 9 #H bond donors: 3
#Freely Rotating Bonds: 5 Polar Surface Area: 174.76 2
Index of Refraction: 1.692 Molar Refractivity: 96.70.4 cm3
Molar Volume: 252.25.0 cm3 Polarizability: 38.30.5 10-24cm3
Surface Tension: 86.75.0 dyne/cm Density: 1.60.1 g/cm3
Flash Point: C Enthalpy of Vaporization: kJ/mol
Boiling Point: C at 760 mmHg Vapour Pressure: mmHg at 25C

 


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