NAV

Calcium pangamate

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

Identification

Generic Name
Calcium pangamate
DrugBank Accession Number
DB13590
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Similar Structures
Weight
Average: 600.584
Monoisotopic: 600.169074
Chemical Formula
C20H36CaN2O16
Synonyms
Not Available
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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.
DrugInteraction
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interactions in your software
AcebutololThe therapeutic efficacy of Acebutolol can be decreased when used in combination with Calcium pangamate.
AcetyldigitoxinCalcium pangamate may increase the arrhythmogenic and cardiotoxic activities of Acetyldigitoxin.
Alendronic acidThe serum concentration of Alendronic acid can be decreased when it is combined with Calcium pangamate.
AlfacalcidolThe risk or severity of adverse effects can be increased when Alfacalcidol is combined with Calcium pangamate.
AmiodaroneThe therapeutic efficacy of Amiodarone can be decreased when used in combination with Calcium pangamate.
Food Interactions
Not Available

Categories

ATC Codes
A12AA11 — Calcium pangamate
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
Alpha amino acid esters
Alternative Parents
Medium-chain hydroxy acids and derivatives / Medium-chain fatty acids / Amino fatty acids / Sugar acids and derivatives / Beta hydroxy acids and derivatives / Hydroxy fatty acids / Dicarboxylic acids and derivatives / Monosaccharides / Amino acids / Trialkylamines
show 10 more
Substituents
Alcohol / Aliphatic acyclic compound / Alpha-amino acid ester / Amine / Amino acid / Amino fatty acid / Beta-hydroxy acid / Carbonyl group / Carboxylic acid / Carboxylic acid ester
show 24 more
Molecular Framework
Not Available
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
492G10Q871
CAS number
20310-61-6
InChI Key
JWLAOERSRUNGEF-JQVJEGKNSA-L
InChI
InChI=1S/2C10H19NO8.Ca/c2*1-11(2)3-6(13)19-4-5(12)7(14)8(15)9(16)10(17)18;/h2*5,7-9,12,14-16H,3-4H2,1-2H3,(H,17,18);/q;;+2/p-2/t2*5-,7-,8+,9-;/m11./s1
IUPAC Name
calcium bis((2R,3S,4R,5R)-6-{[2-(dimethylamino)acetyl]oxy}-2,3,4,5-tetrahydroxyhexanoate)
SMILES
[Ca++].CN(C)CC(=O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O.CN(C)CC(=O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O

References

General References
Not Available
ChemSpider
26333260
RxNav
1917
ChEMBL
CHEMBL3707447
Wikipedia
Calcium_pangamate

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 Solubility16.3 mg/mLALOGPS
logP-1.2ALOGPS
logP-5.8Chemaxon
logS-1.6ALOGPS
pKa (Strongest Acidic)2.98Chemaxon
pKa (Strongest Basic)6.58Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area150.59 Å2Chemaxon
Rotatable Bond Count18Chemaxon
Refractivity71.69 m3·mol-1Chemaxon
Polarizability25.99 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
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]-219.88092
predicted
DeepCCS 1.0 (2019)
[M+H]+221.60463
predicted
DeepCCS 1.0 (2019)
[M+Na]+227.92705
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:44 / Updated at June 12, 2020 16:53