Citrated calcium carbimideProduct ingredient forCalcium carbimide

Show full entry for Calcium carbimide
Name
Citrated calcium carbimide
Drug Entry
Calcium carbimide

Calcium carbimide, sold as the citrate salt, is an alcohol-sensitizing agent. Its effects are similar to the drug disulfiram (Antabuse) in that it interferes with the normal metabolism of alcohol by preventing the breakdown of the metabolic product acetaldehyde. Calcium carbimide was conceived as an alternative for the treatment of alcoholism with a reduced side effect profile either when it is consumed accompanied by alcohol or without it.1This drug was developed by Lederle Cyanamid Canada Inc and approved for marketing in Canada in 1959. The current status of calcium carbimide is cancelled post marketing.8

See full entry for Calcium carbimide
Accession Number
DBSALT001860
Structure
MOL SDF PDB SMILES InChI
Similar Structures
Synonyms
2-hydroxy-1,2,3-propanetricarboxylic acid mixt. with cyanamide calcium salt (1:1)/2-hydroxy-1,2,3-propanetricarboxylic acid, cyanamide, calcium salt (1:1:1) Calcium cyanamide citrated
UNII
21ZCD2AA4H
CAS Number
8013-88-5
Weight
Average: 292.301
Monoisotopic: 292.0583418
Chemical Formula
C8H16CaN2O7
InChI Key
NEZBLMYXHFALIF-UHFFFAOYSA-N
InChI
InChI=1S/C6H8O7.C2H4N2.Ca.4H/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-4-2-3;;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);4H,1H3;;;;;
IUPAC Name
2-hydroxypropane-1,2,3-tricarboxylic acid cyano(methyl)amine calcium dihydride
SMILES
[H].[H].[CaH2].CNC#N.OC(=O)CC(O)(CC(O)=O)C(O)=O
Wikipedia
Calcium_carbimide
Predicted Properties
Property Value Source
Water Solubility 106.0 mg/mL ALOGPS
logP -1.3 ALOGPS
logP -1.3 Chemaxon
logS -0.26 ALOGPS
pKa (Strongest Acidic) 3.05 Chemaxon
pKa (Strongest Basic) -4.2 Chemaxon
Physiological Charge -3 Chemaxon
Hydrogen Acceptor Count 7 Chemaxon
Hydrogen Donor Count 4 Chemaxon
Polar Surface Area 132.13 Å2 Chemaxon
Rotatable Bond Count 5 Chemaxon
Refractivity 35.62 m3·mol-1 Chemaxon
Polarizability 15.5 Å3 Chemaxon
Number of Rings 0 Chemaxon
Bioavailability 1 Chemaxon
Rule of Five Yes Chemaxon
Ghose Filter No Chemaxon
Veber's Rule No Chemaxon
MDDR-like Rule No Chemaxon