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

CAS: 122841-12-7 Cat. No.: C580341 Fórmula: C₁₉H₂₂N₈O₆S₂.H₂SO₄ Peso molecular: 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

Descripción general

Cefoselis Sulfate is an antibiotic

Specifications

Sinónimos

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

Especificaciones y pureza

2mM in DMSO

Mecanismos bioquímicos y fisiológicos

Cefoselis is a widely used beta-lactam antibiotic.

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.

Nombres e identificadores

Sonrisas canónicas

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

Isómeros 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 alternativo

122841-10-5

PubChem CID

9830519

Peso molecular

620.64

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: DMSO 3 mg/mL Water 5 mg/mL Ethanol <1 mg/mL
• Sensibilidad: light sensitive
• Peso molecular: 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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