NAV

Ractopamine

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

Identification

Generic Name
Ractopamine
DrugBank Accession Number
DB11541
Background

Not Available

Type
Small Molecule
Groups
Vet approved
Structure
3D
Similar Structures
Weight
Average: 301.386
Monoisotopic: 301.167793605
Chemical Formula
C18H23NO3
Synonyms
  • Ractopamine
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
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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.
AcemetacinThe risk or severity of hypertension can be increased when Ractopamine is combined with Acemetacin.
Acetylsalicylic acidThe risk or severity of hypertension can be increased when Acetylsalicylic acid is combined with Ractopamine.
AclidiniumThe risk or severity of Tachycardia can be increased when Aclidinium is combined with Ractopamine.
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Ractopamine hydrochloride309G9J93TP90274-24-1JHGSLSLUFMZUMK-UHFFFAOYSA-N

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
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
1,2-aminoalcohol / 1-hydroxy-2-unsubstituted benzenoid / Alcohol / Amine / Aralkylamine / Aromatic alcohol / Aromatic homomonocyclic compound / Hydrocarbon derivative / Monocyclic benzene moiety / Organic nitrogen compound
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
secondary alcohol, benzyl alcohols, secondary amino compound, polyphenol (CHEBI:82647)
Affected organisms
Not Available

Chemical Identifiers

UNII
57370OZ3P1
CAS number
Not Available
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

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. [Article]
  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. [Article]
  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. [Article]
  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. [Article]
  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. [Article]
  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. [Article]
  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. [Article]
  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. [Article]
  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. [Article]
  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. [Article]
ChemSpider
50604
BindingDB
27959
RxNav
1311677
ChEBI
82647
ChEMBL
CHEMBL509336
Wikipedia
Ractopamine

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount

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-MSsplash10-05fr-3910000000-80871abc9255eca44d68
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-08ni-0910000000-c514f20dba03cf651500
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0ue9-0879000000-619c278c5f1aac8b4250
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-0908000000-bff57f65a61a2aedf6cd
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-01pk-2910000000-a312b7039fe039d67443
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0rnc-2921000000-5be1ed2b28db7af82632
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0pbd-3920000000-aa6677b5bfa3a61ebe89
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-3910000000-b62bb8510188891a0c4e
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-173.8637
predicted
DeepCCS 1.0 (2019)
[M+H]+176.2217
predicted
DeepCCS 1.0 (2019)
[M+Na]+182.31485
predicted
DeepCCS 1.0 (2019)

Targets

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Details1. Estrogen receptor alpha
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. [Article]

Drug created at February 26, 2016 17:40 / Updated at March 09, 2021 02:59