Cefquinome sulfate - 10mM in DMSO , CAS No.118443-89-3

CAS: 118443-89-3 Cat. No.: C580342 Formule: C₂₃H₂₆N₆O₉S₃ Poids moléculaire: 626.68 Beilstein Registry Number: 11333438 Numéro CE: 800-041-1

QUALITÉ & PURETÉ 10mM in DMSO

Synonyms

Cefquinome sulfate|118443-89-3|Cefquinome sulphate|HR111V-SULFATE|Cefquinome sulfate [USAN]|Hr111v-sulphate|3858K104DQ|(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-(5,6,7,8-tetrahydroquinolin-1-ium-1-ylmethyl)-5-thia-1

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

Information

Cefquinome sulphate is a veterinary, parenteral, and fourth-generation cephalosporin. Its antimicrobial potency and extensive antibacterial spectrum result from the introduction of a methoxyimino-aminothiazolyl moiety into the acyl side chain.

Spécifications

Synonymes

Cefquinome sulfate | 118443-89-3 | Cefquinome sulphate | HR111V-SULFATE | Cefquinome sulfate [USAN] | Hr111v-sulphate | 3858K104DQ | (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-(5,6,7,8-tetrahydroquinolin-1-ium-1-ylmethyl)-5-thia-1

Spécifications et pureté

10mM in DMSO

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Noms et identifiants

Pubchem Sid

528774083

Sourires canoniques

CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC=CC5=C4CCCC5)C(=O)[O-].OS(=O)(=O)O

IUPAC Name

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

InChIKey

KYOHRXSGUROPGY-OFNLCGNNSA-N

INCHI

1S/C23H24N6O5S2.H2O4S/c1-34-27-16(14-11-36-23(24)25-14)19(30)26-17-20(31)29-18(22(32)33)13(10-35-21(17)29)9-28-8-4-6-12-5-2-3-7-15(12)28;1-5(2,3)4/h4,6,8,11,17,21H,2-3,5,7,9-10H2,1H3,(H3-,24,25,26,30,32,33);(H2,1,2,3,4)/b27-16-;/t17-,21-;/m1./s1

Isomères 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=C4CCCC5)C(=O)[O-].OS(=O)(=O)O

Numéro ONU

UN 3077

Groupe d'emballage

III

Poids moléculaire

626.68

Beilstein

11333438

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Lactams
• Subclass: Beta lactams
• Intermediate Tree Nodes: Cephems
• Direct Parent: Cephalosporins
• Alternative Parents: N-acyl-alpha amino acids and derivatives Hydroquinolines 2,4-disubstituted thiazoles 2-amino-1,3-thiazoles Pyridinium derivatives 1,3-thiazines Organic sulfuric acids Heteroaromatic compounds Tertiary carboxylic acid amides Carboxylic acid salts Azetidines Amino acids Secondary carboxylic acid amides Monocarboxylic acids and derivatives Thiohemiaminal derivatives Azacyclic compounds Dialkylthioethers Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Primary amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Tetrahydroquinoline - 2,4-disubstituted 1,3-thiazole - Sulfuric acid - Meta-thiazine - 1,3-thiazol-2-amine - Pyridine - Pyridinium - Organic sulfuric acid or derivatives - Heteroaromatic compound - Azole - Thiazole - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Carboxylic acid salt - Carboxamide group - Azetidine - Amino acid or derivatives - Amino acid - Azacycle - Dialkylthioether - Carboxylic acid derivative - Carboxylic acid - Hemithioaminal - Thioether - Monocarboxylic acid or derivatives - Organic zwitterion - Organic oxide - Organic oxygen compound - Carbonyl group - Organic salt - Amine - Hydrocarbon derivative - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen 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.

DOI: 10.1186/s13321-016-0174-y

Propriétés chimiques et physiques

• Sensibilité: Light sensitive
• Poids moléculaire: 626.700 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 6
• Exact Mass: 626.092 Da
• Monoisotopic Mass: 626.092 Da
• Topological Polar Surface Area: 290.000 Ų
• Heavy Atom Count: 41
• Formal Charge: 0
• Complexity: 1050.000
• 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

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