Carbaspirin calcium

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

Identification

Name
Carbaspirin calcium
Accession Number
DB13612
Type
Small Molecule
Groups
Experimental, Investigational
Description
Not Available
Structure
Thumb
Synonyms
  • Carbasalate calcium
  • Carbasalato calcico
  • Carbasalatum calcicum
Categories
UNII
N667F17JP1
CAS number
5749-67-7
Weight
Average: 458.436
Monoisotopic: 458.0638211
Chemical Formula
C19H18CaN2O9
InChI Key
VYMUGTALCSPLDM-UHFFFAOYSA-L
InChI
InChI=1S/2C9H8O4.CH4N2O.Ca/c2*1-6(10)13-8-5-3-2-4-7(8)9(11)12;2-1(3)4;/h2*2-5H,1H3,(H,11,12);(H4,2,3,4);/q;;;+2/p-2
IUPAC Name
calcium urea bis(2-(acetyloxy)benzoate)
SMILES
[Ca++].NC(N)=O.CC(=O)OC1=CC=CC=C1C([O-])=O.CC(=O)OC1=CC=CC=C1C([O-])=O

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
(4R)-limoneneThe risk or severity of adverse effects can be increased when (4R)-limonene is combined with Carbaspirin calcium.
16-BromoepiandrosteroneThe risk or severity of adverse effects can be increased when Carbaspirin calcium is combined with 16-Bromoepiandrosterone.
19-norandrostenedioneThe risk or severity of adverse effects can be increased when Carbaspirin calcium is combined with 19-norandrostenedione.
2,4-thiazolidinedioneCarbaspirin calcium may increase the hypoglycemic activities of 2,4-thiazolidinedione.
5-androstenedioneThe risk or severity of adverse effects can be increased when Carbaspirin calcium is combined with 5-androstenedione.
AbacavirCarbaspirin calcium may decrease the excretion rate of Abacavir which could result in a higher serum level.
AcarboseCarbaspirin calcium may increase the hypoglycemic activities of Acarbose.
AcebutololCarbaspirin calcium may decrease the antihypertensive activities of Acebutolol.
AceclofenacThe risk or severity of adverse effects can be increased when Aceclofenac is combined with Carbaspirin calcium.
AcemetacinThe risk or severity of adverse effects can be increased when Carbaspirin calcium is combined with Acemetacin.
Food Interactions
Not Available

References

General References
Not Available
External Links
ChemSpider
20651
ChEMBL
CHEMBL3833325
Wikipedia
Carbasalate_calcium
ATC Codes
B01AC08 — Carbasalate calciumN02BA15 — Carbasalate calcium

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2RecruitingTreatmentIntracerebral Hemorrhage / Nonvalvular Atrial Fibrillation1

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 Solubility0.00848 mg/mLALOGPS
logP3.17ALOGPS
logP1.24ChemAxon
logS-4.7ALOGPS
pKa (Strongest Acidic)3.41ChemAxon
pKa (Strongest Basic)-7.1ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area66.43 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity55.28 m3·mol-1ChemAxon
Polarizability16.51 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as acylsalicylic acids. These are o-acylated derivatives of salicylic acid.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Benzoic acids and derivatives
Direct Parent
Acylsalicylic acids
Alternative Parents
Phenol esters / Benzoic acids / Phenoxy compounds / Benzoyl derivatives / Dicarboxylic acids and derivatives / Ureas / Carboxylic acid salts / Carboxylic acid esters / Organic calcium salts / Carboxylic acids
show 5 more
Substituents
Acylsalicylic acid / Phenol ester / Benzoic acid / Phenoxy compound / Benzoyl / Dicarboxylic acid or derivatives / Carboxylic acid ester / Carboxylic acid salt / Urea / Carbonic acid derivative
show 13 more
Molecular Framework
Not Available
External Descriptors
Not Available

Drug created on June 23, 2017 14:45 / Updated on October 01, 2018 15:35