Cefoselis Sulfate - 2mM in DMSO , CAS No.122841-12-7

CAS: 122841-12-7 Cat. No.: C580341 Formule: C₁₉H₂₂N₈O₆S₂.H₂SO₄ Poids moléculaire: 620.64 PubChem CID: 9830519

GRADE & PURITY 2mM in DMSO

Synonyms

CEFOSELIS SULFATE [MI] | SCHEMBL1649696 | (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[[2-(2-hydroxyethyl)-3-iminopyrazol-1-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;sulfuric acid | 7-[[2-(2-ami

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

Cefoselis Sulfate is an antibiotic

Specifications

Synonymes

CEFOSELIS SULFATE [MI] | SCHEMBL1649696 | (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[[2-(2-hydroxyethyl)-3-iminopyrazol-1-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;sulfuric acid | 7-[[2-(2-ami

Spécifications et pureté

2mM in DMSO

Mécanismes biochimiques et physiologiques

Cefoselis is a widely used beta-lactam antibiotic.

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

• Sourires canoniques: CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)CN4C=CC(=N)N4CCO)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-[[2-(2-hydroxyethyl)-3-iminopyrazol-1-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;sulfuric acid
• InChIKey: LZOLCSVRFKCSEM-ZQCAECPKSA-N
• INCHI: 1S/C19H22N8O6S2.H2O4S/c1-33-24-12(10-8-35-19(21)22-10)15(29)23-13-16(30)27-14(18(31)32)9(7-34-17(13)27)6-25-3-2-11(20)26(25)4-5-28;1-5(2,3)4/h2-3,8,13,17,20,28H,4-7H2,1H3,(H2,21,22)(H,23,29)(H,31,32);(H2,1,2,3,4)/b20-11?,24-12-;/t13-,17-;/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)CN4C=CC(=N)N4CCO)C(=O)O.OS(=O)(=O)O
• CAS alternatif: 122841-10-5
• PubChem CID: 9830519
• Poids moléculaire: 620.64

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 2,4-disubstituted thiazoles 1,3-thiazines Organic sulfuric acids 2-amino-1,3-thiazoles Imidolactams Tertiary carboxylic acid amides Pyrazoles Heteroaromatic compounds Amino acids Secondary carboxylic acid amides Azetidines Amidrazones Dialkylthioethers Carboxylic acids Alkanolamines Monocarboxylic acids and derivatives Azacyclic compounds Thiohemiaminal derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Primary alcohols Primary amines
• 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 - Sulfuric acid - Meta-thiazine - 1,3-thiazol-2-amine - Imidolactam - Organic sulfuric acid or derivatives - Heteroaromatic compound - Azole - Pyrazole - Thiazole - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Carboxamide group - Azetidine - Amino acid or derivatives - Carboxylic acid amidrazone - Amino acid - Alkanolamine - Azacycle - Dialkylthioether - Hemithioaminal - Thioether - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonyl group - Organic nitrogen compound - Alcohol - Organic oxide - Hydrocarbon derivative - Amine - Primary amine - Organic oxygen compound - Primary alcohol - 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

• Solubilité: DMSO 3 mg/mL Water 5 mg/mL Ethanol <1 mg/mL
• Sensibilité: light sensitive
• Poids moléculaire: 620.600 g/mol
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 9
• Exact Mass: 620.078 Da
• Monoisotopic Mass: 620.078 Da
• Topological Polar Surface Area: 334.000 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 1100.000
• 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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