Calcium sulfate

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

Identification

Generic Name
Calcium sulfate
DrugBank Accession Number
DB15533
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 136.141
Monoisotopic: 135.914320333
Chemical Formula
CaO4S
Synonyms
  • Anhydrous gypsum
  • Calcium sulfate, anhydrous
  • Calcium sulphate

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
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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

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Active Moieties
NameKindUNIICASInChI Key
Calcium cationunknown2M83C4R6ZB14127-61-8BHPQYMZQTOCNFJ-UHFFFAOYSA-N

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
E934B3V59H
CAS number
7778-18-9
InChI Key
OSGAYBCDTDRGGQ-UHFFFAOYSA-L
InChI
InChI=1S/Ca.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2
IUPAC Name
calcium sulfate
SMILES
[Ca++].[O-]S([O-])(=O)=O

References

General References
Not Available
KEGG Drug
D09201
KEGG Compound
C13194
ChemSpider
22905
RxNav
1925
ChEBI
31346
ChEMBL
CHEMBL2106140
Wikipedia
Calcium_sulfate

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4TerminatedTreatmentOpen tíbia Fracture With Sub-segmental Bone Loss1
Not AvailableCompletedPreventionTooth Extractions1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Tablet, coatedOral
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility51.3 mg/mLALOGPS
logP-0.1ALOGPS
logP-0.84Chemaxon
logS-0.57ALOGPS
pKa (Strongest Acidic)-3Chemaxon
Physiological Charge-2Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area80.26 Å2Chemaxon
Rotatable Bond Count0Chemaxon
Refractivity11.53 m3·mol-1Chemaxon
Polarizability5.81 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-102.46989
predicted
DeepCCS 1.0 (2019)
[M+H]+105.51314
predicted
DeepCCS 1.0 (2019)
[M+Na]+114.60962
predicted
DeepCCS 1.0 (2019)

Drug created at October 09, 2019 21:58 / Updated at June 12, 2020 16:53