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Cefbuperazone sodium

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Name

Cefbuperazone sodium

EINECS N/A
CAS No. 76648-01-6 Density N/A
PSA 282.92000 LogP -3.57460
Solubility N/A Melting Point N/A
Formula C22H28N9NaO9S2 Boiling Point N/A
Molecular Weight 616.63 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 76648-01-6 (Cefbuperazone sodium) Hazard Symbols N/A
Synonyms

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[[(2R,3S)-2-[[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]-3-hydroxy-1-oxobutyl]amino]-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-,monosodium salt, (6R,7S)- (9CI);Cefbuperazonesodium;Keiperazon;T 1982;

 

Cefbuperazone sodium Specification

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:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous > 8gm/kg (8000mg/kg)   Chemotherapy Vol. 30(Suppl,
mouse LD50 intraperitoneal > 10gm/kg (10000mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Chemotherapy Vol. 30(Suppl,
mouse LD50 intravenous > 10gm/kg (10000mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: ATAXIA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Chemotherapy Vol. 30(Suppl,
mouse LD50 oral > 10gm/kg (10000mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" Chemotherapy Vol. 30(Suppl,
mouse LD50 subcutaneous > 10gm/kg (10000mg/kg) SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" Chemotherapy Vol. 30(Suppl,
rat LD50 intraperitoneal > 10gm/kg (10000mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Chemotherapy Vol. 30(Suppl,
rat LD50 intravenous 9550mg/kg (9550mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: ATAXIA
Chemotherapy Vol. 30(Suppl,
rat LD50 oral > 10gm/kg (10000mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" Chemotherapy Vol. 30(Suppl,
rat LD50 subcutaneous > 10gm/kg (10000mg/kg) SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" Chemotherapy Vol. 30(Suppl,

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