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Ceftolozane sulfate , Bacterial penicillin-binding protein inhibitor, CAS No.49863419, Bacterial penicillin-binding protein inhibitor
Molecular Weight: 764.8
PubChem CID:
49863419
Basic Description
Synonyms
Ceftolozane sulfate | CHEMBL1213250 | FR264205 | CXA-101 (FOR SULFATE)
Action Type
INHIBITOR
Mechanism of action
Bacterial penicillin-binding protein inhibitor
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Lactams
Subclass
Beta lactams
Intermediate Tree Nodes
Cephems
Direct Parent
Cephalosporins
Alternative Parents
N-acyl-alpha amino acids and derivatives Dicarboxylic acids and derivatives 1,3-thiazines Organic sulfuric acids Heteroaromatic compounds Thiadiazoles Tertiary carboxylic acid amides Pyrazoles Ureas Carboxylic acid salts Azetidines Secondary carboxylic acid amides Amino acids Carboxylic acids Thiohemiaminal derivatives Azacyclic compounds Dialkylthioethers Hydrocarbon derivatives Carbonyl compounds Monoalkylamines Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Sulfuric acid - Meta-thiazine - Dicarboxylic acid or derivatives - Organic sulfuric acid or derivatives - Pyrazole - Tertiary carboxylic acid amide - Thiadiazole - Azole - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Urea - Carboxamide group - Azetidine - Carboxylic acid salt - Secondary carboxylic acid amide - Carboxylic acid - Carboxylic acid derivative - Thioether - Hemithioaminal - Dialkylthioether - Azacycle - Organic nitrogen compound - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Primary amine - Organic zwitterion - Carbonyl group - Organic salt - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moiety or a derivative thereof.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
2-[(Z)-[2-[[(6R,7R)-3-[[3-amino-4-(2-aminoethylcarbamoylamino)-2-methylpyrazol-1-ium-1-yl]methyl]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]amino]-1-(5-amino-1,2,4-thiadiazol-3-yl)-2-oxoethylidene]amino]oxy-2-methylpropanoate;sulfuric acid
INCHI
InChI=1S/C23H30N12O8S2.H2O4S/c1-23(2,20(40)41)43-31-11(15-30-21(26)45-32-15)16(36)29-12-17(37)35-13(19(38)39)9(8-44-18(12)35)6-34-7-10(14(25)33(34)3)28-22(42)27-5-4-24;1-5(2,3)4/h7,12,18,25H,4-6,8,24H2,1-3H3,(H7,26,27,28,29,30,32,36,38,39,40,41,42);(H2,1,
InChIKey
UJDQGRLTPBVSFN-TVNHLQOTSA-N
Smiles
CC(C)(C(=O)[O-])ON=C(C1=NSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC(=C(N4C)N)NC(=O)NCCN)C(=O)O.OS(=O)(=O)O
Isomeric SMILES
CC(C)(C(=O)[O-])O/N=C(/C1=NSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC(=C(N4C)N)NC(=O)NCCN)C(=O)O.OS(=O)(=O)O
PubChem CID
49863419
Molecular Weight
764.8
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
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