This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Summary
Ambroxol acefyllinate is a bronchodilator indicated in the symptomatic treatment of bronchopulmonary disorders associated with bronchospasm.
- Generic Name
- Ambroxol acefyllinate
- DrugBank Accession Number
- DB13141
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental, Investigational
- Structure
Structure for Ambroxol acefyllinate (DB13141)
- Weight
- Average: 616.311
Monoisotopic: 614.048794 - Chemical Formula
- C22H28Br2N6O5
- Synonyms
- Acebrophylline
- Ambromucil
- Ambroxol theophyllinacetate
- Broncomnes
- Surfolase
- External IDs
- 179118-73-1
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Associated Conditions
- Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.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.Not Available
- Food Interactions
- Not Available
Products
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Categories
- 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
- Alpha amino acids and derivatives / 6-oxopurines / Alkaloids and derivatives / Benzylamines / Phenylmethylamines / 2-bromoanilines / Aralkylamines / Bromobenzenes / Cyclohexylamines / Pyrimidones show 18 more
- Substituents
- 2-bromoaniline / 6-oxopurine / Alcohol / Alkaloid or derivatives / Alpha-amino acid or derivatives / Amine / Aniline or substituted anilines / Aralkylamine / Aromatic heteropolycyclic compound / Aryl bromide show 39 more
- Molecular Framework
- Not Available
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 0HM1E174TN
- CAS number
- 96989-76-3
- InChI Key
- IPUHJDQWESJTGD-NJJJQDLFSA-N
- InChI
- InChI=1S/C13H18Br2N2O.C9H10N4O4/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10;1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15/h5-6,10-11,17-18H,1-4,7,16H2;4H,3H2,1-2H3,(H,14,15)/t10-,11+;
- IUPAC Name
- (1s,4s)-4-{[(2-amino-3,5-dibromophenyl)methyl]amino}cyclohexan-1-ol; 2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetic acid
- SMILES
- CN1C2=C(N(CC(O)=O)C=N2)C(=O)N(C)C1=O.NC1=C(Br)C=C(Br)C=C1CN[C@@H]1CC[C@H](O)CC1
References
- General References
- AIFA Product Information: Ambromucil (ambroxol acefyllinate) for oral use [Link]
- External Links
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Completed Treatment Acute Tracheobronchitis 1 1 Completed Treatment Healthy Subjects (HS) 2 1 Completed Treatment Healthy, Male 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Granule, for solution Oral 100 mg Granule, for solution Oral 25 mg Syrup Oral 1 g/100ml Capsule Oral 100 MG Granule, for solution Oral Granule, for suspension Oral 25 MG Capsule Oral Granule, for suspension Oral Syrup Oral - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 14.7 mg/mL ALOGPS logP -0.8 ALOGPS logP 2.65 ChemAxon logS -1.2 ALOGPS pKa (Strongest Acidic) 15.26 ChemAxon pKa (Strongest Basic) 9.01 ChemAxon Physiological Charge 1 ChemAxon Hydrogen Acceptor Count 3 ChemAxon Hydrogen Donor Count 3 ChemAxon Polar Surface Area 58.28 Å2 ChemAxon Rotatable Bond Count 5 ChemAxon Refractivity 81.94 m3·mol-1 ChemAxon Polarizability 32.18 Å3 ChemAxon Number of Rings 4 ChemAxon Bioavailability 1 ChemAxon Rule of Five No ChemAxon Ghose Filter No ChemAxon Veber's Rule No ChemAxon MDDR-like Rule No ChemAxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Enzymes
- Kind
- Protein group
- Organism
- Humans
- Pharmacological action
- No
- Actions
- Substrate
- General Function
- Vitamin d3 25-hydroxylase activity
- Specific Function
- Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It performs a variety of oxidation react...
Components:
Drug created at November 02, 2016 21:11 / Updated at June 12, 2021 10:55