Ceftiofur sodium - 10mM in DMSO , CAS No.104010-37-9

CAS: 104010-37-9 Cat. No.: C420438 Fórmula: C₁₉H₁₆N₅O₇S₃.Na Peso molecular: 545.6 Número EC: 680-655-2 PubChem CID: 23671563

GRADE & PURITY 10mM in DMSO

Synonyms

CEFTIOFUR SODIUM (MART.) | CEFTIOFUR NATRIUM [WHO-DD] | SODIUM (6R,7R)-7-(2-(2-AMINO-4-THIAZOLYL)GLYOXYLAMIDO)-3-(MERCAPTOMETHYL)-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLATE, 72-(Z)-(O-METHYLOXIME), 2-FUROATE (ESTER) | Ceftiflex | BSPBio_00357

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

Ceftiofur sodium is an antibiotic of the cephalosporin type (third generation), licensed for use in veterinary medicine.

Specifications

Sinónimos

CEFTIOFUR SODIUM (MART.) | CEFTIOFUR NATRIUM [WHO-DD] | SODIUM (6R,7R)-7-(2-(2-AMINO-4-THIAZOLYL)GLYOXYLAMIDO)-3-(MERCAPTOMETHYL)-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLATE, 72-(Z)-(O-METHYLOXIME), 2-FUROATE (ESTER) | Ceftiflex | BSPBio_00357

Especificaciones y pureza

10mM in DMSO

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

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

Tipo de acción

INHIBITOR

Nombres e identificadores

Pubchem Sid

528763895

Sonrisas canónicas

CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC(=O)C4=CC=CO4)C(=O)[O-].[Na+]

IUPAC Name

sodium;(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(furan-2-carbonylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

InChIKey

RFLHUYUQCKHUKS-JUODUXDSSA-M

INCHI

1S/C19H17N5O7S3.Na/c1-30-23-11(9-7-34-19(20)21-9)14(25)22-12-15(26)24-13(17(27)28)8(5-32-16(12)24)6-33-18(29)10-3-2-4-31-10;/h2-4,7,12,16H,5-6H2,1H3,(H2,20,21)(H,22,25)(H,27,28);/q;+1/p-1/b23-11-;/t12-,16-;/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)CSC(=O)C4=CC=CO4)C(=O)[O-].[Na+]

PubChem CID

23671563

Peso molecular

545.6

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 Furoic acid and derivatives 1,3-thiazines Thiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Thioesters Azetidines Carbothioic S-esters Isothioureas Thiohemiaminal derivatives Azacyclic compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Carboximidic acids Carboxylic acids Oxacyclic compounds Monocarboxylic acids and derivatives Dialkylthioethers Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Organic zwitterions Carbonyl compounds Organic oxides Organic sodium salts
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-acyl-alpha amino acid or derivatives - Cephem - Furoic acid or derivatives - Meta-thiazine - Azole - Beta-lactam - Furan - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiazole - Azetidine - Carboxamide group - Isothiourea - Lactam - Thiocarboxylic acid ester - Carbothioic s-ester - Organoheterocyclic compound - Dialkylthioether - Organic 1,3-dipolar compound - Carboximidic acid - Carboximidic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organic alkali metal salt - Thiocarboxylic acid or derivatives - Thioether - Hemithioaminal - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Organic sodium salt - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic zwitterion - Organic salt - 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: organic molecular entity

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

Propiedades químicas y físicas

• Peso molecular: 545.600 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 9
• Exact Mass: 545.011 Da
• Monoisotopic Mass: 545.011 Da
• Topological Polar Surface Area: 259.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 952.000
• 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