Ambazone
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Ambazone
- DrugBank Accession Number
- DB13697
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 237.29
Monoisotopic: 237.079664556 - Chemical Formula
- C8H11N7S
- Synonyms
- Ambazona
- Ambazone
- Ambazonum
- External IDs
- DC 0572
Pharmacology
- Indication
Not Available
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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
- 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.Not Available
- Food Interactions
- Not Available
Products
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
- International/Other Brands
- Inversal / Iversal / Ivertol / Promassol
Categories
- ATC Codes
- R02AA01 — Ambazone
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as thiosemicarbazones. These are compounds containing the thiosemicarbazone functional group obtained by replacing the carbonyl group by a thiocarbonyl group.
- Kingdom
- Organic compounds
- Super Class
- Organic nitrogen compounds
- Class
- Organonitrogen compounds
- Sub Class
- Hydrazines and derivatives
- Direct Parent
- Thiosemicarbazones
- Alternative Parents
- Guanidines / Carboximidamides / Organosulfur compounds / Imines / Hydrocarbon derivatives
- Substituents
- Aliphatic homomonocyclic compound / Carboximidamide / Guanidine / Hydrocarbon derivative / Imine / Organosulfur compound / Thiosemicarbazone
- Molecular Framework
- Aliphatic homomonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- BYK4592A3Q
- CAS number
- 539-21-9
- InChI Key
- MLMFUKWWZIZRHX-UWRPRBHNSA-N
- InChI
- InChI=1S/C8H11N7S/c9-7(10)14-12-5-1-3-6(4-2-5)13-15-8(11)16/h1-4H,(H4,9,10,14)(H3,11,15,16)/b12-5-,13-6+
- IUPAC Name
- {[(1E,4E)-4-(carbamimidamidoimino)cyclohexa-2,5-dien-1-ylidene]amino}thiourea
- SMILES
- NC(=N)NN=C1C=CC(C=C1)=NNC(N)=S
References
Clinical Trials
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
Property Value Source Water Solubility 0.0951 mg/mL ALOGPS logP 1.46 ALOGPS logP 0.29 Chemaxon logS -3.4 ALOGPS pKa (Strongest Acidic) 11.64 Chemaxon pKa (Strongest Basic) 8.07 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 5 Chemaxon Polar Surface Area 124.67 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 89.43 m3·mol-1 Chemaxon Polarizability 24.14 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes 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 splash10-000i-0090000000-7cb9fe6efd82df75b018 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0udi-0190000000-4a9f7350789e03ce7d58 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-00dr-0590000000-4a9c65004de297803cb1 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0btc-9510000000-ecf7d761bbd3bab2f9e4 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-00dr-1900000000-edd8e126b41f17ef4731 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-1900000000-3b229c7fb4b891f33c91 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]- 155.8589565 predictedDarkChem Lite v0.1.0 [M-H]- 150.0905 predictedDeepCCS 1.0 (2019) [M+H]+ 156.2075565 predictedDarkChem Lite v0.1.0 [M+H]+ 152.48607 predictedDeepCCS 1.0 (2019) [M+Na]+ 156.2174565 predictedDarkChem Lite v0.1.0 [M+Na]+ 158.55464 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:46 / Updated at February 21, 2021 18:54