IUPAC name
calcium cyano(methyl)amine 2-(carboxymethyl)-2-hydroxybutanedioate
SMILES
[Ca++].CNC#N.OC(=O)CC(O)(CC([O-])=O)C([O-])=O
Compound class
Nervous System; Drugs Used in Addictive Disorders; Drugs Used in Alcohol Dependence;
Therapeutic area
Common name
Calcium carbimide
IUPAC name
calcium cyano(methyl)amine 2-(carboxymethyl)-2-hydroxybutanedioate
SMILES
[Ca++].CNC#N.OC(=O)CC(O)(CC([O-])=O)C([O-])=O
INCHI
InChI=1S/C6H8O7.C2H4N2.Ca/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;/q;;+2/p-2
FORMULA
C8H10CaN2O7
Common name
Calcium carbimide
IUPAC name
calcium cyano(methyl)amine 2-(carboxymethyl)-2-hydroxybutanedioate
Molecular weight
190.108
clogP
-1.178
clogS
0.459
HBond Acceptor
7
HBond Donor
2
Total Polar Surface Area
137.79
Number of Rings
0
Rotatable Bond
5
