Amoxicillin Sodium - ≥89% , CAS No.34642-77-8

CAS: 34642-77-8 Cat. No.: A137746 Formula: C₁₆H₁₈N₃O₅S.Na Molecular Weight: 387.39 EC Number: 252-124-1

GRADE & PURITY ≥89%

Synonyms

Quimiopen | BYHDFCISJXIVBV-YWUHCJSESA-M | (2S-(2alpha,5alpha,6beta(S*)))-6-((Amino(4-hydroxyphenyl)acetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid monosodium salt | CHEBI:51255 | sodium (2S,5R,6R)-6-((R)-2-amino-2-(4-h

Storage

Room temperature

Shipped In

Normal

Overview

Amoxicillin Sodium is a moderate- spectrum, bacteriolytic, β-lactam antibiotic.

Specifications

Synonyms

Quimiopen | BYHDFCISJXIVBV-YWUHCJSESA-M | (2S-(2alpha,5alpha,6beta(S*)))-6-((Amino(4-hydroxyphenyl)acetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid monosodium salt | CHEBI:51255 | sodium (2S,5R,6R)-6-((R)-2-amino-2-(4-h

Specifications & Purity

≥89%

Biochemical and Physiological Mechanisms

Amoxicillin sodium (Amox) is a moderate- spectrum, bacteriolytic, β-lactam antibiotic. Amoxicillin sodium (Amox) is used to treat bacterial infections caused by susceptible microorganisms. Amoxicillin sodium (Amox) is usually the drug of choice within the

Storage

Room temperature

Shipped In

Normal

Action Type

INHIBITOR

Purity

≥89%

Names and Identifiers

Pubchem Sid

488200379

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488200379

Canonical Smiles

CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)C(=O)[O-])C.[Na+]

IUPAC Name

sodium;(2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

InChIKey

BYHDFCISJXIVBV-YWUHCJSESA-M

INCHI

1S/C16H19N3O5S.Na/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7;/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24);/q;+1/p-1/t9-,10-,11+,14-;/m1./s1

Isomeric SMILES

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)C(=O)[O-])C.[Na+]

Molecular Weight

387.39

Reaxy-Rn

1184044

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1184044&ln=

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: Penams Aralkylamines Phenoxides Thiazolidines Tertiary carboxylic acid amides Amino acids Azetidines Thiohemiaminal derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidic acids Carboxylic acids Dialkylthioethers Monocarboxylic acids and derivatives Organopnictogen compounds Hydrocarbon derivatives Monoalkylamines Carbonyl compounds Organic oxides Organic sodium salts Organic zwitterions
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-acyl-alpha amino acid or derivatives - Penam - Phenoxide - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Beta-lactam - Tertiary carboxylic acid amide - Thiazolidine - Carboxamide group - Lactam - Azetidine - Amino acid - Azacycle - Organic alkali metal salt - Carboximidic acid - Carboximidic acid derivative - Carboxylic acid - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Thioether - Hemithioaminal - Dialkylthioether - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Organic oxygen compound - Organic sodium salt - Organooxygen compound - Organopnictogen compound - Organic oxide - Primary amine - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Organic zwitterion - Amine - Carbonyl group - Primary aliphatic amine - 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: organic sodium salt

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

• Solubility: DMSO 78 mg/mL Water 78 mg/mL Ethanol
• Sensitivity: Hygroscopic
• Molecular Weight: 387.400 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 387.086 Da
• Monoisotopic Mass: 387.086 Da
• Topological Polar Surface Area: 161.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 596.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3