Ceftazidime sodium , Bacterial penicillin-binding protein inhibitor, CAS No.73547-61-2, Bacterial penicillin-binding protein inhibitor

CAS: 73547-61-2 Cat. No.: C671009 Molecular Weight: 568.6 PubChem CID: 5488543

Synonyms

CEFTAZIDIME SODIUM | sodium;(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxylatopropan-2-yloxyimino)acetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate | CMC30V039K | CHEMBL1200768 | Fortaz In Plast

Storage

Room temperature

Specifications

Synonyms

CEFTAZIDIME SODIUM | sodium;(6R, 7R)-7-[[(2Z)-2-(2-amino-1, 3-thiazol-4-yl)-2-(2-carboxylatopropan-2-yloxyimino)acetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate | CMC30V039K | CHEMBL1200768 | Fortaz In Plast

Storage

Room temperature

Action Type

INHIBITOR

Mechanism of action

Bacterial penicillin-binding protein inhibitor

Names and Identifiers

• Canonical Smiles: CC(C)(C(=O)[O-])ON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC=CC=C4)C(=O)[O-].[Na+]
• IUPAC Name: sodium;(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxylatopropan-2-yloxyimino)acetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
• InChIKey: JEEWDSDYUSEQML-ROMZVAKDSA-M
• INCHI: 1S/C22H22N6O7S2.Na/c1-22(2,20(33)34)35-26-13(12-10-37-21(23)24-12)16(29)25-14-17(30)28-15(19(31)32)11(9-36-18(14)28)8-27-6-4-3-5-7-27;/h3-7,10,14,18H,8-9H2,1-2H3,(H4-,23,24,25,29,31,32,33,34);/q;+1/p-1/b26-13-;/t14-,18-;/m1./s1
• Isomeric SMILES: CC(C)(C(=O)[O-])O/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC=CC=C4)C(=O)[O-].[Na+]
• PubChem CID: 5488543
• Molecular Weight: 568.6

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Lactams
      • Subclass Beta lactams
        • Level5 Cephems
          • Level6 Cephalosporins

• 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 2,4-disubstituted thiazoles 1,3-thiazines Pyridinium derivatives 2-amino-1,3-thiazoles Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Azetidines Carboxylic acid salts Dialkylthioethers Carboxylic acids Thiohemiaminal derivatives Azacyclic compounds Organopnictogen compounds Carbonyl compounds Primary amines Organic zwitterions Hydrocarbon derivatives Organic sodium salts Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - 2,4-disubstituted 1,3-thiazole - Meta-thiazine - Dicarboxylic acid or derivatives - Pyridine - Pyridinium - 1,3-thiazol-2-amine - Heteroaromatic compound - Azole - Tertiary carboxylic acid amide - Thiazole - Amino acid or derivatives - Amino acid - Secondary carboxylic acid amide - Azetidine - Carboxamide group - Carboxylic acid salt - Hemithioaminal - Thioether - Azacycle - Dialkylthioether - Organic alkali metal salt - Carboxylic acid derivative - Carboxylic acid - Organic zwitterion - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Primary amine - Organic oxygen compound - Amine - Organic salt - Organic sodium salt - 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: organic sodium salt

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.

DOI: 10.1186/s13321-016-0174-y