NAV

Reproterol

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

Identification

Summary

Reproterol is a short-acting β2 adrenoreceptor agonist used to treat various types of asthma including allergic asthma, non-allergic asthma, and exercise-induced asthma.

Generic Name
Reproterol
DrugBank Accession Number
DB12846
Background

Reproterol has been used in trials studying the treatment of Asthma, Exercise-Induced.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 389.412
Monoisotopic: 389.169918861
Chemical Formula
C18H23N5O5
Synonyms
  • 7-(3-((2-(3,5-Dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)theophylline
  • Reproterol
  • Reproterolum
External IDs
  • D 1959
  • D-1959
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Pharmacology

Indication

Not Available

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Associated Conditions
Indication TypeIndicationCombined Product DetailsApproval LevelAge GroupPatient CharacteristicsDose Form
Used in combination to preventDyspneaCombination Product in combination with: Cromoglicic acid (DB01003)•••••••••••••••••••• •••••••••••• •••••••••• •••• ••••••• ••••••••••••••••••••••• •••••••
Used in combination to treatDyspneaCombination Product in combination with: Cromoglicic acid (DB01003)•••••••••••••••••••• •••••••••••• •••••••••• •••• ••••••• ••••••••••••••••••••••• •••••••
Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
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.
DrugInteraction
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interactions in your software
AcebutololThe therapeutic efficacy of Reproterol can be decreased when used in combination with Acebutolol.
AceclofenacThe risk or severity of hypertension can be increased when Aceclofenac is combined with Reproterol.
AcemetacinThe risk or severity of hypertension can be increased when Reproterol is combined with Acemetacin.
Acetylsalicylic acidThe risk or severity of hypertension can be increased when Acetylsalicylic acid is combined with Reproterol.
AclidiniumThe risk or severity of Tachycardia can be increased when Aclidinium is combined with Reproterol.
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Reproterol hydrochlorideY4I1COJ8W813055-82-8XSFWDHONRBZVEJ-UHFFFAOYSA-N
International/Other Brands
Bronchodil / Bronchospasmin

Categories

ATC Codes
R03AK05 — Reproterol and sodium cromoglicateR03CC14 — ReproterolR03AC15 — Reproterol
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Imidazopyrimidines
Sub Class
Purines and purine derivatives
Direct Parent
Xanthines
Alternative Parents
6-oxopurines / Alkaloids and derivatives / Resorcinols / 1-hydroxy-2-unsubstituted benzenoids / 1-hydroxy-4-unsubstituted benzenoids / Pyrimidones / Aralkylamines / N-substituted imidazoles / Benzene and substituted derivatives / Vinylogous amides
show 11 more
Substituents
1,2-aminoalcohol / 1-hydroxy-2-unsubstituted benzenoid / 1-hydroxy-4-unsubstituted benzenoid / 6-oxopurine / Alcohol / Alkaloid or derivatives / Amine / Aralkylamine / Aromatic alcohol / Aromatic heteropolycyclic compound
show 26 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
11941YC6RN
CAS number
54063-54-6
InChI Key
WVLAAKXASPCBGT-UHFFFAOYSA-N
InChI
InChI=1S/C18H23N5O5/c1-21-16-15(17(27)22(2)18(21)28)23(10-20-16)5-3-4-19-9-14(26)11-6-12(24)8-13(25)7-11/h6-8,10,14,19,24-26H,3-5,9H2,1-2H3
IUPAC Name
7-(3-{[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino}propyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
SMILES
CN1C2=C(N(CCCNCC(O)C3=CC(O)=CC(O)=C3)C=N2)C(=O)N(C)C1=O

References

General References
  1. DIMDI Product Information: Aarane-N (reproterol hydrochloride/sodium cromoglycate) suspension for inhalation [Link]
  2. National Center for Advancing Translational Science: Reproterol [Link]
PubChem Compound
25654
PubChem Substance
347829007
ChemSpider
23898
RxNav
35373
ChEBI
135612
ChEMBL
CHEMBL1095607
Wikipedia
Reproterol

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
2CompletedTreatmentExercised Induced Asthma1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Aerosol, meteredRespiratory (inhalation)1 mg
Aerosol, meteredRespiratory (inhalation)
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility2.88 mg/mLALOGPS
logP-0.11ALOGPS
logP-1.2Chemaxon
logS-2.1ALOGPS
pKa (Strongest Acidic)8.84Chemaxon
pKa (Strongest Basic)9.66Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area131.16 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity101.96 m3·mol-1Chemaxon
Polarizability39.7 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-0009000000-49bf5ac23851681a1671
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0129000000-73c09a9e9c313fbd9f13
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0fdo-0429000000-e9a1a9e3401e137fea1f
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0uk9-0029000000-46e39c4880c3094829f3
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00e9-2938000000-5b072a4affe12a64733d
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0ab9-3759000000-7f11cc8f4d10cfcc9944
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]-187.01338
predicted
DeepCCS 1.0 (2019)
[M+H]+189.53537
predicted
DeepCCS 1.0 (2019)
[M+Na]+197.33652
predicted
DeepCCS 1.0 (2019)

Drug created at October 21, 2016 00:42 / Updated at June 12, 2021 10:54