Ractopamine

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

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Name
Ractopamine
Accession Number
DB11541
Type
Small Molecule
Groups
Vet approved
Description
Not Available
Structure
Thumb
Synonyms
Not Available
Product Ingredients
IngredientUNIICASInChI Key
Ractopamine hydrochloride309G9J93TP90274-24-1JHGSLSLUFMZUMK-UHFFFAOYSA-N
Categories
UNII
57370OZ3P1
CAS number
Not Available
Weight
Average: 301.386
Monoisotopic: 301.167793605
Chemical Formula
C18H23NO3
InChI Key
YJQZYXCXBBCEAQ-UHFFFAOYSA-N
InChI
InChI=1S/C18H23NO3/c1-13(2-3-14-4-8-16(20)9-5-14)19-12-18(22)15-6-10-17(21)11-7-15/h4-11,13,18-22H,2-3,12H2,1H3
IUPAC Name
4-(3-{[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino}butyl)phenol
SMILES
CC(CCC1=CC=C(O)C=C1)NCC(O)C1=CC=C(O)C=C1

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
TargetActionsOrganism
UEstrogen receptor alphaNot AvailableHumans
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half life
Not Available
Clearance
Not Available
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
1-(3-Mercapto-2-Methyl-Propionyl)-Pyrrolidine-2-Carboxylic AcidThe risk or severity of hypertension can be increased when 1-(3-Mercapto-2-Methyl-Propionyl)-Pyrrolidine-2-Carboxylic Acid is combined with Ractopamine.
1-benzylimidazoleThe risk or severity of hypertension can be increased when 1-benzylimidazole is combined with Ractopamine.
2,5-Dimethoxy-4-ethylamphetamineThe risk or severity of hypertension can be increased when 2,5-Dimethoxy-4-ethylamphetamine is combined with Ractopamine.
2,5-Dimethoxy-4-ethylthioamphetamineThe risk or severity of hypertension can be increased when Ractopamine is combined with 2,5-Dimethoxy-4-ethylthioamphetamine.
4-Bromo-2,5-dimethoxyamphetamineThe risk or severity of hypertension can be increased when 4-Bromo-2,5-dimethoxyamphetamine is combined with Ractopamine.
4-MethoxyamphetamineThe risk or severity of hypertension can be increased when 4-Methoxyamphetamine is combined with Ractopamine.
5-methoxy-N,N-dimethyltryptamineThe risk or severity of hypertension can be increased when Ractopamine is combined with 5-methoxy-N,N-dimethyltryptamine.
AbediterolThe risk or severity of hypertension can be increased when Ractopamine is combined with Abediterol.
AcebutololThe therapeutic efficacy of Ractopamine can be decreased when used in combination with Acebutolol.
AceclofenacThe risk or severity of hypertension can be increased when Aceclofenac is combined with Ractopamine.
Additional Data Available
  • Extended Description
    Extended Description

    Extended description of the mechanism of action and particular properties of each drug interaction.

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  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

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  • Evidence Level
    Evidence Level

    A rating for the strength of the evidence supporting each drug interaction.

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  • Action
    Action

    An effect category for each drug interaction. Know how this interaction affects the subject drug.

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Food Interactions
Not Available

References

General References
  1. Smith DJ, Shelver WL: Tissue residues of ractopamine and urinary excretion of ractopamine and metabolites in animals treated for 7 days with dietary ractopamine. J Anim Sci. 2002 May;80(5):1240-9. [PubMed:12019611]
  2. Chen XA, Huang PJ, Hou DB, Kang XS, Zhang GX, Zhou ZK: [Terahertz time-domain spectroscopy of ractopamine hydrochloride]. Guang Pu Xue Yu Guang Pu Fen Xi. 2011 Mar;31(3):600-3. [PubMed:21595199]
  3. Adeola O, Darko EA, He P, Young LG: Manipulation of porcine carcass composition by ractopamine. J Anim Sci. 1990 Nov;68(11):3633-41. [PubMed:1979784]
  4. Athayde NB, Dalla Costa OA, Roca RO, Guidoni AL, Ludtke CB, Oba E, Takahira RK, Lima GJ: Stress susceptibility in pigs supplemented with ractopamine. J Anim Sci. 2013 Sep;91(9):4180-7. doi: 10.2527/jas.2011-5014. Epub 2013 Jul 3. [PubMed:23825348]
  5. Scramlin SM, Carr SN, Parks CW, Fernandez-Duenas DM, Leick CM, McKeith FK, Killefer J: Effect of ractopamine level, gender, and duration of ractopamine on belly and bacon quality traits. Meat Sci. 2008 Dec;80(4):1218-21. doi: 10.1016/j.meatsci.2008.05.034. Epub 2008 Jun 3. [PubMed:22063860]
  6. Smith DJ, Giddings JM, Feil VJ, Paulson GD: Identification of ractopamine hydrochloride metabolites excreted in rat bile. Xenobiotica. 1995 May;25(5):511-20. [PubMed:7571724]
  7. Yen JT, Mersmann HJ, Hill DA, Pond WG: Effects of ractopamine on genetically obese and lean pigs. J Anim Sci. 1990 Nov;68(11):3705-12. [PubMed:1979785]
  8. Bergen WG, Johnson SE, Skjaerlund DM, Babiker AS, Ames NK, Merkel RA, Anderson DB: Muscle protein metabolism in finishing pigs fed ractopamine. J Anim Sci. 1989 Sep;67(9):2255-62. [PubMed:2480945]
  9. Mills SE, Kissel J, Bidwell CA, Smith DJ: Stereoselectivity of porcine beta-adrenergic receptors for ractopamine stereoisomers. J Anim Sci. 2003 Jan;81(1):122-9. [PubMed:12597381]
  10. Wang Z, Liu M, Shi W, Li C, Zhang S, Shen J: New haptens and antibodies for ractopamine. Food Chem. 2015 Sep 15;183:111-4. doi: 10.1016/j.foodchem.2015.03.043. Epub 2015 Mar 19. [PubMed:25863617]
External Links
ChemSpider
50604
BindingDB
27959
ChEBI
82647
ChEMBL
CHEMBL509336
Wikipedia
Ractopamine

Clinical Trials

Clinical Trials
Not Available

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0266 mg/mLALOGPS
logP2.17ALOGPS
logP2.2ChemAxon
logS-4ALOGPS
pKa (Strongest Acidic)9.19ChemAxon
pKa (Strongest Basic)9.89ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area72.72 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity87.62 m3·mol-1ChemAxon
Polarizability33.58 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-08ni-0910000000-c514f20dba03cf651500

Taxonomy

Description
This compound belongs to the class of organic compounds known as 1-hydroxy-2-unsubstituted benzenoids. These are phenols that a unsubstituted at the 2-position.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Phenols
Sub Class
1-hydroxy-2-unsubstituted benzenoids
Direct Parent
1-hydroxy-2-unsubstituted benzenoids
Alternative Parents
Aralkylamines / Benzene and substituted derivatives / Secondary alcohols / 1,2-aminoalcohols / Dialkylamines / Organopnictogen compounds / Hydrocarbon derivatives / Aromatic alcohols
Substituents
1-hydroxy-2-unsubstituted benzenoid / Aralkylamine / Monocyclic benzene moiety / 1,2-aminoalcohol / Secondary alcohol / Secondary amine / Secondary aliphatic amine / Organic oxygen compound / Aromatic alcohol / Alcohol
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
secondary alcohol, benzyl alcohols, secondary amino compound, polyphenol (CHEBI:82647)

Targets

Kind
Protein
Organism
Humans
Pharmacological action
Unknown
Curator comments
Weak activator
General Function
Zinc ion binding
Specific Function
Nuclear hormone receptor. The steroid hormones and their receptors are involved in the regulation of eukaryotic gene expression and affect cellular proliferation and differentiation in target tissu...
Gene Name
ESR1
Uniprot ID
P03372
Uniprot Name
Estrogen receptor
Molecular Weight
66215.45 Da
References
  1. McRobb FM, Kufareva I, Abagyan R: In silico identification and pharmacological evaluation of novel endocrine disrupting chemicals that act via the ligand-binding domain of the estrogen receptor alpha. Toxicol Sci. 2014 Sep;141(1):188-97. doi: 10.1093/toxsci/kfu114. Epub 2014 Jun 13. [PubMed:24928891]

Drug created on February 26, 2016 10:40 / Updated on June 04, 2019 07:23