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Butedronic acid

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

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Data Packages
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Identification

Summary

Butedronic acid is a radiopharmaceutical marked with technetium for bone scintigraphy.

Generic Name
Butedronic acid
DrugBank Accession Number
DB16004
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 292.073
Monoisotopic: 291.974920518
Chemical Formula
C5H10O10P2
Synonyms
  • Butedronic acid
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
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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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Product Ingredients
IngredientUNIICASInChI Key
Butedronate tetrasodiumA200DNE4C697772-98-0WQVCHXLTSYVIPX-UHFFFAOYSA-J

Categories

Drug Categories
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
26PB1U68YF
CAS number
51395-42-7
InChI Key
LDTZSTJLVYBEKB-UHFFFAOYSA-N
InChI
InChI=1S/C5H10O10P2/c6-3(7)1-2(4(8)9)5(16(10,11)12)17(13,14)15/h2,5H,1H2,(H,6,7)(H,8,9)(H2,10,11,12)(H2,13,14,15)
IUPAC Name
2-(diphosphonomethyl)butanedioic acid
SMILES
OC(=O)CC(C(P(O)(O)=O)P(O)(O)=O)C(O)=O

References

General References
  1. BASG: Teceos - Trockenstechampullen (Butedronic Acid) Intravenous Powder for Solution [Link]
ChemSpider
164918
RxNav
1370573
ChEBI
135216
ChEMBL
CHEMBL2106599

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Injection, powder, for solutionParenteral13 mg
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility16.4 mg/mLALOGPS
logP-1.3ALOGPS
logP-2.8Chemaxon
logS-1.2ALOGPS
pKa (Strongest Acidic)1.2Chemaxon
Physiological Charge-5Chemaxon
Hydrogen Acceptor Count10Chemaxon
Hydrogen Donor Count6Chemaxon
Polar Surface Area189.66 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity49.46 m3·mol-1Chemaxon
Polarizability20.35 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-0090000000-82e8cf40b5a11adf8e43
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-0090000000-6cb5aa6ce2cdeeb04cf4
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00dl-0290000000-142c6143f5bc41f1dbd7
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-03xr-3930000000-a7559c946041c197e9d7
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-9110000000-81fb3e5b0527201fb879
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-9050000000-38489846d0dfe384dc4a
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at December 10, 2020 21:21 / Updated at May 05, 2021 20:32