This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Summary
Tulobuterol is an inhaled long-acting beta2-adrenergic receptor agonist used as a bronchodilator in the management of asthma and COPD.
- Generic Name
- Tulobuterol
- DrugBank Accession Number
- DB12248
- Background
Tulobuterol has been used in trials studying the treatment of Chronic Obstructive Pulmonary Disease.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Tulobuterol (DB12248)
- Weight
- Average: 227.73
Monoisotopic: 227.1076919 - Chemical Formula
- C12H18ClNO
- Synonyms
- Tulobuterol
Pharmacology
- Indication
Not Available
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- Contraindications & Blackbox Warnings
Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UBeta-2 adrenergic receptor regulatorHumans - 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
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- 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.
Drug Interaction Integrate drug-drug
interactions in your softwareAcebutolol The therapeutic efficacy of Tulobuterol can be decreased when used in combination with Acebutolol. Aceclofenac The risk or severity of hypertension can be increased when Aceclofenac is combined with Tulobuterol. Acemetacin The risk or severity of hypertension can be increased when Tulobuterol is combined with Acemetacin. Acetylsalicylic acid The risk or severity of hypertension can be increased when Acetylsalicylic acid is combined with Tulobuterol. Aclidinium The risk or severity of Tachycardia can be increased when Aclidinium is combined with Tulobuterol. - Food Interactions
- Not Available
Products
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Ingredient UNII CAS InChI Key Tulobuterol Hydrochloride VNC12181T0 56776-01-3 RSLNRVYIRDVHLY-UHFFFAOYSA-N
Categories
- ATC Codes
- R03CC11 — Tulobuterol
- R03CC — Selective beta-2-adrenoreceptor agonists
- R03C — ADRENERGICS FOR SYSTEMIC USE
- R03 — DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
- R — RESPIRATORY SYSTEM
- Drug Categories
- Adrenergic Agents
- Adrenergic Agonists
- Adrenergic beta-Agonists
- Adrenergics for Systemic Use
- Adrenergics, Inhalants
- Agents producing tachycardia
- Agents that produce hypertension
- Agents to Treat Airway Disease
- Alcohols
- Amines
- Amino Alcohols
- Anti-Asthmatic Agents
- Autonomic Agents
- Bronchodilator Agents
- Drugs for Obstructive Airway Diseases
- Ethanolamines
- Neurotransmitter Agents
- Peripheral Nervous System Agents
- Respiratory System Agents
- Selective Beta 2-adrenergic Agonists
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Benzene and substituted derivatives
- Sub Class
- Halobenzenes
- Direct Parent
- Chlorobenzenes
- Alternative Parents
- Aralkylamines / Aryl chlorides / Secondary alcohols / 1,2-aminoalcohols / Dialkylamines / Organopnictogen compounds / Organochlorides / Hydrocarbon derivatives / Aromatic alcohols
- Substituents
- 1,2-aminoalcohol / Alcohol / Amine / Aralkylamine / Aromatic alcohol / Aromatic homomonocyclic compound / Aryl chloride / Aryl halide / Chlorobenzene / Hydrocarbon derivative
- Molecular Framework
- Aromatic homomonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 591I9SU0F7
- CAS number
- 41570-61-0
- InChI Key
- YREYLAVBNPACJM-UHFFFAOYSA-N
- InChI
- InChI=1S/C12H18ClNO/c1-12(2,3)14-8-11(15)9-6-4-5-7-10(9)13/h4-7,11,14-15H,8H2,1-3H3
- IUPAC Name
- 2-(tert-butylamino)-1-(2-chlorophenyl)ethan-1-ol
- SMILES
- CC(C)(C)NCC(O)C1=CC=CC=C1Cl
References
- General References
- TITCK Product Information: Tulair (tulobuterol hydrochloride) oral syrup [Link]
- External Links
- PubChem Compound
- 5606
- PubChem Substance
- 347828525
- ChemSpider
- 5404
- BindingDB
- 50421717
- 38967
- ChEBI
- 93856
- ChEMBL
- CHEMBL1159717
- Wikipedia
- Tulobuterol
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 4 Completed Treatment Asthma / Bronchial Asthma 1 4 Unknown Status Treatment Chronic Obstructive Pulmonary Disease (COPD) 1 Not Available Completed Prevention Tonsillar Hypertrophy 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Syrup Oral Tablet Syrup Oral 1 mg/5ml Syrup Oral 20 mg - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.366 mg/mL ALOGPS logP 2.95 ALOGPS logP 2.56 Chemaxon logS -2.8 ALOGPS pKa (Strongest Acidic) 13.9 Chemaxon pKa (Strongest Basic) 9.55 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 32.26 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 63.88 m3·mol-1 Chemaxon Polarizability 24.53 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-052f-9700000000-630a85a87ea43969590f Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0udi-0900000000-844f84a51ecc752476a5 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-2390000000-f3a9e8424923d4022c20 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0udi-0900000000-ac9f4133bfdea6b8370b Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-9320000000-698174a0b7934e46e286 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0a4i-9400000000-efb140ae572565920458 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-9110000000-8ee681654bad602c7d84 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 146.3638 predictedDeepCCS 1.0 (2019) [M+H]+ 148.72182 predictedDeepCCS 1.0 (2019) [M+Na]+ 155.54228 predictedDeepCCS 1.0 (2019)
Targets
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- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- Actions
- Regulator
- General Function
- Protein homodimerization activity
- Specific Function
- Beta-adrenergic receptors mediate the catecholamine-induced activation of adenylate cyclase through the action of G proteins. The beta-2-adrenergic receptor binds epinephrine with an approximately ...
- Gene Name
- ADRB2
- Uniprot ID
- P07550
- Uniprot Name
- Beta-2 adrenergic receptor
- Molecular Weight
- 46458.32 Da
References
- Burioka N, Takata M, Endo M, Miyata M, Takeda K, Chikumi H, Tomita K, Fukuoka Y, Nakazaki H, Sano H, Shimizu E: Treatment with beta2-adrenoceptor agonist in vivo induces human clock gene, Per1, mRNA expression in peripheral blood. Chronobiol Int. 2007;24(1):183-9. [Article]
- Zhao XF, Huang JJ, Li Q, Wei LS, Zheng JB, Zheng XH, Li ZJ, Zhang YY: Revealing binding interaction between seven drugs and immobilized beta2-adrenoceptor by high-performance affinity chromatography using frontal analysis. J Mol Recognit. 2013 May;26(5):252-7. doi: 10.1002/jmr.2271. [Article]
- Li Q, Wang J, Zheng YY, Yang L, Zhang Y, Bian L, Zheng J, Li Z, Zhao X, Zhang Y: Comparison of zonal elution and nonlinear chromatography in determination of the interaction between seven drugs and immobilised beta(2)-adrenoceptor. J Chromatogr A. 2015 Jul 3;1401:75-83. doi: 10.1016/j.chroma.2015.05.012. Epub 2015 May 14. [Article]
Drug created at October 20, 2016 21:43 / Updated at May 27, 2021 02:57