Cefpirome Sulfate - ≥95% , CAS No.98753-19-6

CAS: 98753-19-6 Cat. No.: C153442 Fórmula: C₂₂H₂₂N₆O₅S₂·H₂SO₄ Peso molecular: 612.65 Número EC: 685-392-7 PubChem CID: 11954008

GRADE & PURITY ≥95%

Synonyms

CEFPIROME SULFATE [WHO-DD] | HMS1989E05 | CEFPIROME SULFATE [JAN] | 1-[[(6R,7R)-7-[[(2Z)-(2-Amino-4-thiazolyl)(methoxyimino)acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridinium sulfate | 5H-1

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

Application

A fourth generation cephalosporin antibiotic

Specifications

Sinónimos

CEFPIROME SULFATE [WHO-DD] | HMS1989E05 | CEFPIROME SULFATE [JAN] | 1-[[(6R,7R)-7-[[(2Z)-(2-Amino-4-thiazolyl)(methoxyimino)acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridinium sulfate | 5H-1

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Pureza

≥95%

Nombres e identificadores

Pubchem Sid

504766810

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504766810

Sonrisas canónicas

CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC=CC5=C4CCC5)C(=O)[O-].OS(=O)(=O)O

IUPAC Name

(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;sulfuric acid

InChIKey

RKTNPKZEPLCLSF-QHBKFCFHSA-N

INCHI

1S/C22H22N6O5S2.H2O4S/c1-33-26-15(13-10-35-22(23)24-13)18(29)25-16-19(30)28-17(21(31)32)12(9-34-20(16)28)8-27-7-3-5-11-4-2-6-14(11)27;1-5(2,3)4/h3,5,7,10,16,20H,2,4,6,8-9H2,1H3,(H3-,23,24,25,29,31,32);(H2,1,2,3,4)/b26-15-;/t16-,20-;/m1./s1

Isómeros SMILES

CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC=CC5=C4CCC5)C(=O)[O-].OS(=O)(=O)O

PubChem CID

11954008

Peso molecular

612.65

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 N-acyl-alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: N-acyl-alpha amino acids and derivatives
• Alternative Parents: Cephems 1,3-thiazines Pyridinium derivatives Organic sulfuric acids Thiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Azetidines Carboxylic acid salts Isothioureas Thiohemiaminal derivatives Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carboximidic acids Carboxylic acids Dialkylthioethers Monocarboxylic acids and derivatives Organonitrogen compounds Organopnictogen compounds Organic zwitterions Hydrocarbon derivatives Organic salts Carbonyl compounds Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-acyl-alpha amino acid or derivatives - Cephem - Sulfuric acid - Meta-thiazine - Pyridinium - Pyridine - Tertiary carboxylic acid amide - Azole - Beta-lactam - Thiazole - Heteroaromatic compound - Organic sulfuric acid or derivatives - Lactam - Isothiourea - Carboxylic acid salt - Carboxamide group - Azetidine - Carboximidic acid - Carboximidic acid derivative - Azacycle - Carboxylic acid - Organoheterocyclic compound - Dialkylthioether - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Hemithioaminal - Thioether - Organic oxide - Organic salt - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
• 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.

DOI: 10.1186/s13321-016-0174-y

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water; Insoluble in Ether,Ethanol
• Sensibilidad: Hygroscopic,Heat Sensitive
• Rotación específica [α]: -30° (C=2.5,JP Method)
• Punto de fusión (°C): 200 °C
• Peso molecular: 612.700 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 6
• Exact Mass: 612.077 Da
• Monoisotopic Mass: 612.077 Da
• Topological Polar Surface Area: 290.000 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 1040.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 2

XLogP3

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 98753-19-6, the molecular formula is C22H22N6O5S2·H2SO4, and the molecular weight is 612.65 g/mol. InChIKey RKTNPKZEPLCLSF-QHBKFCFHSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.