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Ammonium lactate

July 24, 2017
Common Name

Ammonium lactate Description

Ammonium lactate is only found in individuals that have used or taken this drug. It is the ammonium salt of lactic acid. Structure

MOLSDFPDBSMILESInChI

Synonyms

Value Source Lactic acid ammonium saltKegg Lac-hydrinKegg Lactate ammonium saltGenerator Ammonium lactic acidGenerator Ammonium (+-)-lactateHMDB 2 Hydroxypropanoic acidMeSH 2 Hydroxypropionic acidMeSH 2-Hydroxypropanoic acidMeSH L Lactic acidMeSH LactateMeSH D Lactic acidMeSH L-Lactic acidMeSH Lactate, ammoniumMeSH Lactic acidMeSH 2-Hydroxypropionic acidMeSH D-Lactic acidMeSH Sarcolactic acidMeSH

Chemical Formlia

C3H9NO3 Average Molecliar Weight

107.1085 Monoisotopic Molecliar Weight

107.058243159 IUPAC Name

ammonium 2-hydroxypropanoate Traditional Name

ammonium lactate CAS Registry Number

515-98-0 SMILES

[NH4+].CC(O)C([O-])=O

InChI Identifier

InChI=1S/C3H6O3.H3N/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);1H3

InChI Key

RZOBLYBZQXQGFY-UHFFFAOYSA-N Chemical Taxonomy Description

This compound belongs to the class of chemical entities known as carboxylic acid salts. These are ionic derivatives of carboxylic acid. Kingdom

Chemical entities Super Class

Organic compounds Class

Organic acids and derivatives Sub Class

Carboxylic acids and derivatives Direct Parent

Carboxylic acid salts Alternative Parents

  • Secondary alcohols
  • Monocarboxylic acids and derivatives
  • Carboxylic acids
  • Organic zwitterions
  • Organic salts
  • Organic oxides
  • Organic nitrogen compounds
  • Hydrocarbon derivatives
  • Carbonyl compounds

    • Substituents

  • Secondary alcohol
  • Carboxylic acid salt
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organic salt
  • Organic zwitterion
  • Organooxygen compound
  • Carbonyl group
  • Alcohol
  • Aliphatic acyclic compound

    • Molecliar Framework

    Aliphatic acyclic compounds External Descriptors

    Not Available Ontology Status

    Expected but not Quantified Origin

  • Drug

    • Biofunction

  • Antipruritic Agents

    • Application

  • Pharmaceutical

    • Cellliar locations

    Not Available Physical Properties State

    Solid Experimental Properties

    Property Value Reference Melting PointNot AvailableNot Available Boiling PointNot AvailableNot Available Water Solubility8.66e+02 g/LNot Available LogPNot AvailableNot Available

    Predicted Properties

    Property Value Source Water Solubility866.0 mg/mLALOGPS logP-0.51ALOGPS logP-0.47ChemAxon logS0.91ALOGPS pKa (Strongest Acidic)3.78ChemAxon pKa (Strongest Basic)-3.7ChemAxon Physiological Charge-1ChemAxon Hydrogen Acceptor Count3ChemAxon Hydrogen Donor Count1ChemAxon Polar Surface Area60.36 Å2ChemAxon Rotatable Bond Count1ChemAxon Refractivity29.68 m3·mol-1ChemAxon Polarizability7.65 Å3ChemAxon Number of Rings0ChemAxon 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 DB06768

  • 21059682

    • details UrineExpected but not Quantified Not AvailableNot AvailableTaking drug identified by DrugBank entry DB06768

  • 21059682

    • details

    Abnormal Concentrations

    Not Available Associated Disorders and Diseases Disease References

    None Associated OMIM IDs

    None External Links DrugBank ID

    DB06768 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

    56149 KEGG Compound ID

    Not Available BioCyc ID

    Not Available BiGG ID

    Not Available Wikipedia Link

    Ammonium_lactate NuGOwiki Link

    HMDB15671 Metagene Link

    HMDB15671 METLIN ID

    Not Available PubChem Compound

    62358 PDB ID

    Not Available ChEBI ID

    774698

    Product: Medetomidine (hydrochloride)

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

    PMID: 24158909

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