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

CAS: 61177-44-4 Cat. No.: C347453 Summenformel: C₈H₈LiNO₅ Molekulargewicht: 205.09 EG-Nummer: 262-639-3 PubChem CID: 23714647

GRADE & PURITY ≥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

Übersicht

Clavulanate lithium is an inhibitor of β-lactamase

Specifications

Synonyme

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-(

Spezifikationen & Reinheit

≥97%

Storage

Store at -20°C,Argon charged

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 504769715
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769715
• Kanonisches Lächeln: [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
• Isomere SMILES: [Li+].C1[C@@H]2N(C1=O)[C@H](/C(=C/CO)/O2)C(=O)[O-]
• PubChem CID: 23714647
• Molekulargewicht: 205.09

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Amino acids and derivatives
          • Ebene6 Alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (nicht menschlich)

blaZ Beta-lactamase (285 Activities)

Discover Target: blaZ

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: H2O:50 mg/mL (218.44 mM),Need ultrasonic；DMSO:5mg/mL (21.84 mM),ultrasonic and heat to 80°C
• Empfindlichkeit: Moisture sensitive
• Molekulargewicht: 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