Cefpirome Sulfate - 10mM in DMSO , CAS No.98753-19-6

CAS: 98753-19-6 Cat. No.: C427207 Molecular Weight: 612.65 EC Number: 685-392-7 PubChem CID: 11954008

GRADE & PURITY 10mM in DMSO

Synonyms

cefpirome sulfate|Cefrom|98753-19-6|HR 810 sulfate|cefpirome sulphate|BA5ALU2ZT9|Cefpirome sulfate (1:1)|DTXSID8046909|(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

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Application

A fourth generation cephalosporin antibiotic

Specifications

Synonyms

cefpirome sulfate | Cefrom | 98753-19-6 | HR 810 sulfate | cefpirome sulphate | BA5ALU2ZT9 | Cefpirome sulfate (1:1) | DTXSID8046909 | (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

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: 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
• Isomeric 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
• Molecular Weight: 612.65

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class 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
• Class: 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
• Description: 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Hygroscopic,Heat Sensitive
• Specific Rotation[α]: -30° (C=2.5,JP Method)
• Melt Point(°C): 200 °C
• Molecular Weight: 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

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