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Ticarcillin

July 24, 2017
Common Name

Ticarcillin Description

Ticarcillin is only found in individuals that have used or taken this drug. It is an antibiotic derived from penicillin similar to carbenicillin in action.Ticarcillins antibiotic properties arise from its ability to prevent cross-linking of peptidoglycan during cell wall synthesis when the bacteria tries to divide, causing death. Structure

MOLSDF3D-SDFPDBSMILESInChI View 3D Structure

Synonyms

Value Source (2S,5R,6R)-6-{[(2R)-2-carboxy-2-thiophen-3-ylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acidChEBI alpha-Carboxy-3-thienylmethylpenicillinChEBI TicarcilinaChEBI TicarcillineChEBI TicarcillinumChEBI (2S,5R,6R)-6-{[(2R)-2-carboxy-2-thiophen-3-ylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylateGenerator a-Carboxy-3-thienylmethylpenicillinGenerator α-carboxy-3-thienylmethylpenicillinGenerator Ticarcillin supplementHMDB TicarMeSH Ticarcillin disodiumMeSH TicarpenMeSH SmithKline beecham brand OF ticarcillin disodium saltMeSH TarcilMeSH GlaxoSmithKline brand OF ticarcillin disodiumMeSH TicillinMeSH CSL Brand OF ticarcillin disodiumMeSH Disodium, ticarcillinMeSH GlaxoSmithKline brand OF ticarcillin disodium saltMeSH SmithKline beecham brand OF ticarcillin disodiumMeSH

Chemical Formlia

C15H16N2O6S2 Average Molecliar Weight

384.427 Monoisotopic Molecliar Weight

384.044977634 IUPAC Name

(2S,5R,6R)-6-[(2R)-2-carboxy-2-(thiophen-3-yl)acetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name

ticarcillin CAS Registry Number

34787-01-4 SMILES

[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](C(O)=O)C1=CSC=C1)C(O)=O

InChI Identifier

InChI=1S/C15H16N2O6S2/c1-15(2)9(14(22)23)17-11(19)8(12(17)25-15)16-10(18)7(13(20)21)6-3-4-24-5-6/h3-5,7-9,12H,1-2H3,(H,16,18)(H,20,21)(H,22,23)/t7-,8-,9+,12-/m1/s1

InChI Key

OHKOGUYZJXTSFX-KZFFXBSXSA-N Chemical Taxonomy Description

This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Kingdom

Organic compounds Super Class

Organic acids and derivatives Class

Carboxylic acids and derivatives Sub Class

Amino acids, peptides, and analogues Direct Parent

Dipeptides Alternative Parents

  • Penicillins
  • N-acyl-alpha amino acids and derivatives
  • 1,3-dicarbonyl compounds
  • Dicarboxylic acids and derivatives
  • Thiophenes
  • Thiazolidines
  • Tertiary carboxylic acid amides
  • Heteroaromatic compounds
  • Secondary carboxylic acid amides
  • Azetidines
  • Thiohemiaminal derivatives
  • Azacyclic compounds
  • Carboxylic acids
  • Dialkylthioethers
  • Organopnictogen compounds
  • Organonitrogen compounds
  • Organic oxides
  • Hydrocarbon derivatives

    • Substituents

  • Alpha-dipeptide
  • Penicillin
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid or derivatives
  • Penam
  • Dicarboxylic acid or derivatives
  • 1,3-dicarbonyl compound
  • Beta-lactam
  • Tertiary carboxylic acid amide
  • Thiazolidine
  • Thiophene
  • Heteroaromatic compound
  • Azetidine
  • Secondary carboxylic acid amide
  • Carboxamide group
  • Lactam
  • Hemithioaminal
  • Thioether
  • Azacycle
  • Organoheterocyclic compound
  • Dialkylthioether
  • Carboxylic acid
  • Hydrocarbon derivative
  • Organopnictogen compound
  • Organic oxygen compound
  • Organonitrogen compound
  • Organooxygen compound
  • Organic nitrogen compound
  • Carbonyl group
  • Organic oxide
  • Aromatic heteropolycyclic compound

    • Molecliar Framework

    Aromatic heteropolycyclic compounds External Descriptors

  • penicillin (CHEBI:9587 )

    • Ontology Status

    Expected but not Quantified Origin

  • Drug

    • Biofunction

  • Anti-Bacterial Agents
  • Penicillins

    • Application

  • Pharmaceutical

    • Cellliar locations

    Not Available Physical Properties State

    Solid Experimental Properties

    Property Value Reference Melting PointNot AvailableNot Available Boiling PointNot AvailableNot Available Water Solubility7.16e-02 g/LNot Available LogPNot AvailableNot Available

    Predicted Properties

    Property Value Source Water Solubility0.072 mg/mLALOGPS logP0.99ALOGPS logP0.6ChemAxon logS-3.7ALOGPS pKa (Strongest Acidic)3.09ChemAxon pKa (Strongest Basic)-6.3ChemAxon Physiological Charge-2ChemAxon Hydrogen Acceptor Count6ChemAxon Hydrogen Donor Count3ChemAxon Polar Surface Area124.01 Å2ChemAxon Rotatable Bond Count5ChemAxon Refractivity87.93 m3·mol-1ChemAxon Polarizability36.14 Å3ChemAxon Number of Rings3ChemAxon Bioavailability1ChemAxon Rlie of FiveYesChemAxon Ghose FilterYesChemAxon Vebers RlieYesChemAxon MDDR-like RlieYesChemAxon

    Spectra Spectra

    Spectrum Type Description Splash Key Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 10V, PositiveNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 20V, PositiveNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 40V, PositiveNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 10V, NegativeNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 20V, NegativeNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 40V, NegativeNot Available

    Biological Properties Cellliar Locations

    Not Available Biofluid Locations

  • Blood
  • Urine

    • Tissue Location

    Not Available Pathways

    Not Available Normal Concentrations

    Biofluid Status Value Age Sex Condition Reference Details BloodExpected but not Quantified Not AvailableNot AvailableTaking drug identified by DrugBank entry DB01607

  • 21059682

    • details UrineExpected but not Quantified Not AvailableNot AvailableTaking drug identified by DrugBank entry DB01607

  • 21059682

    • details

    Abnormal Concentrations

    Not Available Associated Disorders and Diseases Disease References

    None Associated OMIM IDs

    None External Links DrugBank ID

    DB01607 DrugBank Metabolite ID

    Not Available Phenol Explorer Compound ID

    Not Available Phenol Explorer Metabolite ID

    Not Available FoodDB ID

    Not Available KNApSAcK ID

    Not Available Chemspider ID

    33876 KEGG Compound ID

    C07139 BioCyc ID

    Not Available BiGG ID

    Not Available Wikipedia Link

    Ticarcillin NuGOwiki Link

    HMDB15545 Metagene Link

    HMDB15545 METLIN ID

    Not Available PubChem Compound

    36921 PDB ID

    Not Available ChEBI ID

    9587

    Product: CNX-2007

    References Synthesis Reference Not Available Material Safety Data Sheet (MSDS) Not Available General References Not Available

    PMID: 24425124

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