This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Summary
Neridronic Acid is a bisphosphonate drug that prevents osteoclastic bone resorption which is used for the prevention and treatment of osteoporosis.
- Generic Name
- Neridronic Acid
- DrugBank Accession Number
- DB11620
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental, Investigational
- Structure
Structure for Neridronic Acid (DB11620)
- Weight
- Average: 277.15
Monoisotopic: 277.048025887 - Chemical Formula
- C6H17NO7P2
- Synonyms
- (6-amino-1-hydroxyhexylidene)diphosphonic acid
- Neridronate
- Neridronic Acid
Pharmacology
- Indication
Not Available
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Indication Type Indication Combined Product Details Approval Level Age Group Patient Characteristics Dose Form Treatment of Algodystrophy •••••••••••• ••••• Treatment of Osteogenesis imperfecta (oi) •••••••••••• ••••• Treatment of Paget’s disease •••••••••••• ••••• - 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
- 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.- Product Ingredients
Ingredient UNII CAS InChI Key Neridronate sodium H6JVB49Q0F 80729-79-9 MHYULJPRWPTMTD-UHFFFAOYSA-M
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as bisphosphonates. These are organic compounds containing two phosphonate groups linked together through a carbon atoms.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Organic phosphonic acids and derivatives
- Sub Class
- Bisphosphonates
- Direct Parent
- Bisphosphonates
- Alternative Parents
- Organic phosphonic acids / Organopnictogen compounds / Organophosphorus compounds / Organooxygen compounds / Organic oxides / Monoalkylamines / Hydrocarbon derivatives
- Substituents
- Aliphatic acyclic compound / Amine / Bisphosphonate / Hydrocarbon derivative / Organic nitrogen compound / Organic oxide / Organic oxygen compound / Organonitrogen compound / Organooxygen compound / Organophosphonic acid
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 8U27U3RIN4
- CAS number
- 79778-41-9
- InChI Key
- PUUSSSIBPPTKTP-UHFFFAOYSA-N
- InChI
- InChI=1S/C6H17NO7P2/c7-5-3-1-2-4-6(8,15(9,10)11)16(12,13)14/h8H,1-5,7H2,(H2,9,10,11)(H2,12,13,14)
- IUPAC Name
- (6-amino-1-hydroxy-1-phosphonohexyl)phosphonic acid
- SMILES
- NCCCCCC(O)(P(O)(O)=O)P(O)(O)=O
References
- General References
- AIFA Product Information: Nerixia (neridronic acid) for intravenous injection [Link]
- External Links
- PubChem Compound
- 71237
- PubChem Substance
- 347828013
- ChemSpider
- 64372
- BindingDB
- 50098383
- ChEBI
- 135145
- ChEMBL
- CHEMBL55214
- ZINC
- ZINC000001999491
- PDBe Ligand
- NRD
- PDB Entries
- 5er8 / 7kje / 7kjf
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Completed Treatment Complex Regional Pain Syndrome (RSD) 1 3 Terminated Treatment Complex Regional Pain Syndrome (RSD) 2 2 Completed Treatment Osteoporosis / Thalassemia Intermedia (TI) / Thalassemia Major 1 2 Unknown Status Treatment Osteoarthritis of the Knee 1 2, 3 Completed Treatment Complex Regional Pain Syndrome Type 1 (CRPS) 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Injection, solution Intravenous 25 MG Injection, solution, concentrate Intravenous 100 MG - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 13.5 mg/mL ALOGPS logP -1 ALOGPS logP -3.4 Chemaxon logS -1.3 ALOGPS pKa (Strongest Acidic) 0.69 Chemaxon pKa (Strongest Basic) 10.21 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 6 Chemaxon Polar Surface Area 161.31 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 56.58 m3·mol-1 Chemaxon Polarizability 23.15 Å3 Chemaxon Number of Rings 0 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 GC-MS Spectrum - GC-MS Predicted GC-MS splash10-001i-9110000000-db7c293bfe2b41f6a43b Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-004i-0390000000-427d6523bd84ac0fbead Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-0090000000-7589dc8c2a7a744801e0 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-004i-0090000000-191ce4cc6582ad3d489d Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-03gi-9040000000-0deaa837b8f7d232c775 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-05mo-9000000000-89054386ff2ff26997db Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0059-9050000000-570dfd70a25df6f8d400 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]- 147.71979 predictedDeepCCS 1.0 (2019) [M+H]+ 150.97984 predictedDeepCCS 1.0 (2019) [M+Na]+ 159.26375 predictedDeepCCS 1.0 (2019)
Drug created at August 26, 2016 16:09 / Updated at May 05, 2021 20:31