Cefetamet pivoxil hydrochloride - 10mM in DMSO , CAS No.111696-23-2

CAS: 111696-23-2 Cat. No.: C420629 Peso molecular: 548.03 PubChem CID: 5489410

GRADE & PURITY 10mM in DMSO

Synonyms

AKOS025311433 | Ceftamet Pivoxil | CEMT-PI | s4865 | Cefetamet pivoxil hydrochloride | D01629 | 2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-c

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

Information

Cefetamet pivoxil hydrochloride is the hydrochloride salt form of cefetamet pivoxil, which is an oral third-generation cephalosporin antibiotic.

Specifications

Sinónimos

AKOS025311433 | Ceftamet Pivoxil | CEMT-PI | s4865 | Cefetamet pivoxil hydrochloride | D01629 | 2, 2-dimethylpropanoyloxymethyl (6R, 7R)-7-[[(2Z)-2-(2-amino-1, 3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-c

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

• Sonrisas canónicas: CC1=C(N2C(C(C2=O)NC(=O)C(=NOC)C3=CSC(=N3)N)SC1)C(=O)OCOC(=O)C(C)(C)C.Cl
• IUPAC Name: 2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;hydrochloride
• InChIKey: XAAOHMIKXULDKJ-IZXJIOGHSA-N
• INCHI: 1S/C20H25N5O7S2.ClH/c1-9-6-33-16-12(23-14(26)11(24-30-5)10-7-34-19(21)22-10)15(27)25(16)13(9)17(28)31-8-32-18(29)20(2,3)4;/h7,12,16H,6,8H2,1-5H3,(H2,21,22)(H,23,26);1H/b24-11-;/t12-,16-;/m1./s1
• Isómeros SMILES: CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OC)/C3=CSC(=N3)N)SC1)C(=O)OCOC(=O)C(C)(C)C.Cl
• PubChem CID: 5489410
• Peso molecular: 548.03

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 Acylals 1,3-thiazines 2-amino-1,3-thiazoles Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Enoate esters Secondary carboxylic acid amides Azetidines Thiohemiaminal derivatives Acetals Azacyclic compounds Dialkylthioethers Organopnictogen compounds Organic oxides Hydrochlorides Carbonyl compounds Primary amines Hydrocarbon derivatives
• 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 - Acylal - Meta-thiazine - Dicarboxylic acid or derivatives - 1,3-thiazol-2-amine - Heteroaromatic compound - Azole - Tertiary carboxylic acid amide - Thiazole - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Azetidine - Thioether - Acetal - Hemithioaminal - Carboxylic acid derivative - Dialkylthioether - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Primary amine - Hydrochloride - Hydrocarbon derivative - Amine - Organic oxide - Organopnictogen compound - Organic oxygen 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: 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: 548.000 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 10
• Exact Mass: 547.096 Da
• Monoisotopic Mass: 547.096 Da
• Topological Polar Surface Area: 216.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 933.000
• 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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