Cefbuperazone sodium

The Cefbuperazone sodium, with the CAS registry number 76648-01-6. It belongs to the product categories of medicines and drugs. This chemical's molecular formula is C₂₂H₂₈N₉NaO₉S₂ and molecular weight is 649.63. Its systematic name is Sodium (6R,7S)-7-[[(2R,3S)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-3-hydroxybutanoyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate.

Physical properties about Cefbuperazone sodium are:
(1)ACD/LogP: 0.358; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -2.44; (4)ACD/LogD (pH 7.4): -3.35; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 18; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 11;

Cefbuperazone sodium is active against both gram-positive and gram-negative bacteria, including genera resistant to the other cephalosporins. Cefbuperazone sodium exhibite greater activity than did cefmetazole, cefoxitin, cefazolin, or cefoperazone against Escherichia coli, Klebsiella pneumoniae, Proteus mirabilis, and Serratia marcescens and is also highly active against Bacteroides fragilis. Cefbuperazone sodium  is as stable to various beta-lactamases as were cefmetazole and cefoxitin. The therapeutic activities of Cefbuperazone sodium in mice experimentally infected with various gram-negative bacteria are superior to those of cefmetazole, cefoxitin, cefazolin, and cefoperazone.

You can still convert the following datas into molecular structure:
(1)SMILES:[Na+].O=C2N1/C(=C(\CS[C@@H]1[C@]2(OC)NC(=O)[C@H](NC(=O)N3C(=O)C(=O)N(CC)CC3)[C@@H](O)C)CSc4nnnn4C)C([O-])=O;
(2)Std. InChI:InChI=1S/C22H29N9O9S2.Na/c1-5-29-6-7-30(16(35)15(29)34)20(39)23-12(10(2)32)14(33)24-22(40-4)18(38)31-13(17(36)37)11(8-41-19(22)31)9-42-21-25-26-27-28(21)3;/h10,12,19,32H,5-9H2,1-4H3,(H,23,39)(H,24,33)(H,36,37);/q;+1/p-1/t10-,12+,19+,22-;/m0./sl;
(3)Std. InChIKey:WNJOIIXGSLBJAS-FDVIUCIPSA-M;

The toxicity data of Cefbuperazone sodium as follows: