Tibezonium iodide
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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
- Tibezonium iodide
- DrugBank Accession Number
- DB13702
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 601.61
Monoisotopic: 601.10824 - Chemical Formula
- C28H32IN3S2
- Synonyms
- Tibezonium iodide
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.
Categories
- ATC Codes
- A01AB15 — Tibezonium iodide
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Benzodiazepines
- Sub Class
- Not Available
- Direct Parent
- Benzodiazepines
- Alternative Parents
- Diarylthioethers / Thiophenol ethers / Imidothiolactones / Benzene and substituted derivatives / Tetraalkylammonium salts / Ketimines / Sulfenyl compounds / Propargyl-type 1,3-dipolar organic compounds / Azacyclic compounds / Organic zwitterions show 3 more
- Substituents
- Amine / Aromatic heteropolycyclic compound / Aryl thioether / Azacycle / Benzenoid / Benzodiazepine / Diarylthioether / Hydrocarbon derivative / Imidothiolactone / Imine show 15 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- E9P274AJEW
- CAS number
- 54663-47-7
- InChI Key
- YTSPICCNZMNDQT-UHFFFAOYSA-M
- InChI
- InChI=1S/C28H32N3S2.HI/c1-4-31(3,5-2)19-20-32-28-21-27(29-25-13-9-10-14-26(25)30-28)22-15-17-24(18-16-22)33-23-11-7-6-8-12-23;/h6-18H,4-5,19-21H2,1-3H3;1H/q+1;/p-1
- IUPAC Name
- diethyl(methyl)[2-({4-[4-(phenylsulfanyl)phenyl]-3H-1,5-benzodiazepin-2-yl}sulfanyl)ethyl]azanium iodide
- SMILES
- [I-].CC[N+](C)(CC)CCSC1=NC2=CC=CC=C2N=C(C1)C1=CC=C(SC2=CC=CC=C2)C=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 5293779
- 237141
- ChEMBL
- CHEMBL2107065
- Wikipedia
- Tibezonium_iodide
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Mouthwash Oral Tablet Transmucosal - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 1.28e-05 mg/mL ALOGPS logP 1.92 ALOGPS logP 3.17 Chemaxon logS -7.7 ALOGPS pKa (Strongest Acidic) 9.79 Chemaxon pKa (Strongest Basic) 2.1 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 24.72 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 161.62 m3·mol-1 Chemaxon Polarizability 56.27 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 205.31952 predictedDeepCCS 1.0 (2019) [M+H]+ 207.71509 predictedDeepCCS 1.0 (2019) [M+Na]+ 213.69728 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:47 / Updated at February 21, 2021 18:54