Azlocillin

The CAS register number of Azlocillin is 37091-66-0. It also can be called as 3,3-Dimethyl-7-oxo-6-[[[[(2-oxoimidazolidin-1-yl)carbonyl]amino]phenylacetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid and the IUPAC name about this chemical is (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[(2S)-2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid. The molecular formula about this chemical is C₂₀H₂₃N₅O₆S and the molecular weight is 461.49. Classification code about this chemical are Anti-Bacterial Agents, Anti-Infective Agents and Antibacterial. It demonstrates antibacterial activity against a broad spectrum of bacteria.

Physical properties about Azlocillin are: (1)ACD/LogP: -0.34; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -3.32; (4)ACD/LogD (pH 7.4): -4.06; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 11; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 136.08Ų; (13)Index of Refraction: 1.696; (14)Molar Refractivity: 114.22 cm³; (15)Molar Volume: 296.6 cm³; (16)Polarizability: 45.28x10^-24cm³; (17)Surface Tension: 83.6 dyne/cm.

Preparation: this chemical can be prepared by 2-oxo-imidazolidine-1-carbonyl chloride and 6b-((R)-2-amino-2-phenyl-acetylamino)-penicillanic acid in pH=7-7.5. This reaction will need reagent 2n NaOH and solvent H₂O. The reaction time is 30 min with reaction temperature of 10 ℃. The yield is about 88%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H]3N4C(=O)[C@@H](NC(=O)[C@H](c1ccccc1)NC(=O)N2C(=O)NCC2)[C@H]4SC3(C)C
(2)InChI: InChI=1/C20H23N5O6S/c1-20(2)13(17(28)29)25-15(27)12(16(25)32-20)22-14(26)11(10-6-4-3-5-7-10)23-19(31)24-9-8-21-18(24)30/h3-7,11-13,16H,8-9H2,1-2H3,(H,21,30)(H,22,26)(H,23,31)(H,28,29)/t11-,12+,13-,16+/m0/s1
(3)InChIKey: JTWOMNBEOCYFNV-RSUWNVLCBV
(4)Std. InChI: InChI=1S/C20H23N5O6S/c1-20(2)13(17(28)29)25-15(27)12(16(25)32-20)22-14(26)11(10-6-4-3-5-7-10)23-19(31)24-9-8-21-18(24)30/h3-7,11-13,16H,8-9H2,1-2H3,(H,21,30)(H,22,26)(H,23,31)(H,28,29)/t11-,12+,13-,16+/m0/s1
(5)Std. InChIKey: JTWOMNBEOCYFNV-RSUWNVLCSA-N