Identification
- Generic Name
- Iron azide hydrate
- DrugBank Accession Number
- DB02013
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Iron azide hydrate (DB02013)
- Weight
- Average: 171.727
Monoisotopic: 171.890207 - Chemical Formula
- Fe2H2N3O
- Synonyms
- Monoazido-mu-oxo-diiron
- Monoazido-μ-Oxo-Diiron
Pharmacology
- Indication
Not Available
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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
- 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
Categories
- Drug Categories
- Not Available
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Not Available
- CAS number
- Not Available
- InChI Key
- RZHWLGRUSMSXRP-UHFFFAOYSA-N
- InChI
- InChI=1S/2Fe.N3.H2O/c;;1-3-2;/h;;;1H2/q;;-1;
- IUPAC Name
- 2lambda5-triaz-1-en-2-yn-1-ide hydrate diiron
- SMILES
- O.[Fe].[Fe].[N-]=[N+]=[N-]
References
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source logP 0.078 Chemaxon pKa (Strongest Acidic) 5.09 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 34.14 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 7.6 m3·mol-1 Chemaxon Polarizability 2.7 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption + 0.8438 Blood Brain Barrier + 0.9714 Caco-2 permeable + 0.5 P-glycoprotein substrate Non-substrate 0.8871 P-glycoprotein inhibitor I Non-inhibitor 0.9497 P-glycoprotein inhibitor II Non-inhibitor 0.9711 Renal organic cation transporter Non-inhibitor 0.9205 CYP450 2C9 substrate Non-substrate 0.8318 CYP450 2D6 substrate Non-substrate 0.8632 CYP450 3A4 substrate Non-substrate 0.7453 CYP450 1A2 substrate Non-inhibitor 0.7325 CYP450 2C9 inhibitor Non-inhibitor 0.8602 CYP450 2D6 inhibitor Non-inhibitor 0.9261 CYP450 2C19 inhibitor Non-inhibitor 0.8669 CYP450 3A4 inhibitor Non-inhibitor 0.991 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9429 Ames test AMES toxic 0.835 Carcinogenicity Carcinogens 0.6229 Biodegradation Ready biodegradable 0.9832 Rat acute toxicity 2.9272 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.7185 hERG inhibition (predictor II) Non-inhibitor 0.964
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52