Clavulanate Lithium - ≥97% , CAS No.61177-44-4

CAS: 61177-44-4 Cat. No.: C347453 Formule: C₈H₈LiNO₅ Poids moléculaire: 205.09 Numéro CE: 262-639-3 PubChem CID: 23714647

QUALITÉ & PURETÉ ≥97%

Synonyms

Clavulanate (lithium) | A923973 | HY-A0256B | 4-Oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3-(2-hydroxyethylidene)-7-oxo-, monolithium salt, [2R-(2alpha,3Z,5alpha)]- | DTXCID8026012 | 7V8MJK33EJ | C-6661 | CLAVULANATE LITHIUM | Lithium(2R,5R,Z)-3-(

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Clavulanate lithium is an inhibitor of β-lactamase

Spécifications

Synonymes

Clavulanate (lithium) | A923973 | HY-A0256B | 4-Oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3-(2-hydroxyethylidene)-7-oxo-, monolithium salt, [2R-(2alpha,3Z,5alpha)]- | DTXCID8026012 | 7V8MJK33EJ | C-6661 | CLAVULANATE LITHIUM | Lithium(2R,5R,Z)-3-(

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at -20°C,Argon charged

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

Pubchem Sid

504769715

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504769715

Sourires canoniques

[Li+].C1C2N(C1=O)C(C(=CCO)O2)C(=O)[O-]

IUPAC Name

lithium;(2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate

InChIKey

JMRXTGCDVQLAFM-JSYANWSFSA-M

INCHI

1S/C8H9NO5.Li/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4;/h1,6-7,10H,2-3H2,(H,12,13);/q;+1/p-1/b4-1-;/t6-,7-;/m1./s1

Isomères SMILES

[Li+].C1[C@@H]2N(C1=O)[C@H](/C(=C/CO)/O2)C(=O)[O-]

PubChem CID

23714647

Poids moléculaire

205.09

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Clavams 1,4-oxazepines Tertiary carboxylic acid amides Oxazolidines Azetidines Carboxylic acid salts Azacyclic compounds Oxacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organic lithium salts Organonitrogen compounds Primary alcohols Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organic oxides Organic zwitterions
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Alpha-amino acid or derivatives - Clavam - Para-oxazepine - Beta-lactam - Oxazolidine - Tertiary carboxylic acid amide - Azetidine - Carboxamide group - Carboxylic acid salt - Lactam - Oxacycle - Azacycle - Organic alkali metal salt - Organoheterocyclic compound - Carboxylic acid - Organic lithium salt - Monocarboxylic acid or derivatives - Organic salt - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organic oxide - Alcohol - Carbonyl group - Organopnictogen compound - Organic nitrogen compound - Primary alcohol - Hydrocarbon derivative - Organic zwitterion - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), 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

Cibles associées (non humaines)

blaZ Beta-lactamase (285 Activities)

Discover Target: blaZ

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: H2O:50 mg/mL (218.44 mM),Need ultrasonic；DMSO:5mg/mL (21.84 mM),ultrasonic and heat to 80°C
• Sensibilité: Moisture sensitive
• Poids moléculaire: 205.100 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 205.056 Da
• Monoisotopic Mass: 205.056 Da
• Topological Polar Surface Area: 89.900 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 329.000
• 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

XLogP3