NAV

Calcium sulfide

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

Identification

Generic Name
Calcium sulfide
DrugBank Accession Number
DB11211
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Similar Structures
Weight
Average: 72.14
Monoisotopic: 71.9346621
Chemical Formula
CaS
Synonyms
  • Calcium sulphide
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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

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of inorganic compounds known as alkaline earth metal sulfides. These are inorganic compounds containing a sulfur atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen is an alkaline earth metal.
Kingdom
Inorganic compounds
Super Class
Mixed metal/non-metal compounds
Class
Alkaline earth metal organides
Sub Class
Alkaline earth metal sulfides
Direct Parent
Alkaline earth metal sulfides
Alternative Parents
Inorganic sulfides / Inorganic calcium salts
Substituents
Alkaline earth metal sulfide / Inorganic calcium salt / Inorganic salt / Inorganic sulfide
Molecular Framework
Not Available
External Descriptors
organic molecular entity (CHEBI:81055)
Affected organisms
Not Available

Chemical Identifiers

UNII
1MBW07J51Q
CAS number
20548-54-3
InChI Key
AGVJBLHVMNHENQ-UHFFFAOYSA-N
InChI
InChI=1S/Ca.S/q+2;-2
IUPAC Name
calcium sulfanediide
SMILES
[S--].[Ca++]

References

General References
Not Available
KEGG Compound
C17392
ChemSpider
8373113
RxNav
90521
ChEBI
81055
Wikipedia
Calcium_sulfide

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility19.9 mg/mLALOGPS
logP0.21ALOGPS
logP-0.038Chemaxon
logS-0.56ALOGPS
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count0Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area0 Å2Chemaxon
Rotatable Bond Count0Chemaxon
Refractivity5.76 m3·mol-1Chemaxon
Polarizability2.93 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleYesChemaxon
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]-112.40367
predicted
DeepCCS 1.0 (2019)
[M+H]+114.221954
predicted
DeepCCS 1.0 (2019)
[M+Na]+121.81366
predicted
DeepCCS 1.0 (2019)

Drug created at December 03, 2015 16:51 / Updated at June 12, 2020 16:53