1.0 2010-04-08 22:08:23 UTC 2025-11-18 23:15:00 UTC FDB009060 Calcium pantothenate, calcium chloride double salt It is used as a food additive . Calcium pantothenate, racemic-calcium chloride complex C9H16Ca2Cl2NO5 369.289 367.965735351 dicalcium 3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoate dichloride dicalcium pantothenate dichloride 6363-38-8 [Cl-].[Cl-].[Ca++].[Ca++].CC(C)(CO)C(O)C(=O)NCCC([O-])=O InChI=1S/C9H17NO5.2Ca.2ClH/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;;;;/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);;;2*1H/q;2*+2;;/p-3 QGWZUKRMHMQGMZ-UHFFFAOYSA-K belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom. Beta amino acids and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic acyclic compounds Carbonyl compounds Carboxylic acid salts Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Monosaccharides N-acyl amines Organic calcium salts Organic cations Organic chloride salts Organic metal halides Organic oxides Organonitrogen compounds Organopnictogen compounds Primary alcohols Secondary alcohols Secondary carboxylic acid amides Alcohol Aliphatic acyclic compound Beta amino acid or derivatives Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid salt Fatty acyl Fatty amide Hydrocarbon derivative Monocarboxylic acid or derivatives Monosaccharide N-acyl-amine Organic calcium salt Organic cation Organic chloride salt Organic metal halide Organic nitrogen compound Organic oxide Organic oxygen compound Organic salt Organonitrogen compound Organooxygen compound Organopnictogen compound Primary alcohol Secondary alcohol Secondary carboxylic acid amide logp -1.4 ChemAxon pka_strongest_acidic 4.35 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac dicalcium 3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoate dichloride ChemAxon average_mass 369.289 ChemAxon mono_mass 367.965735351 ChemAxon smiles [Cl-].[Cl-].[Ca++].[Ca++].CC(C)(CO)C(O)C(=O)NCCC([O-])=O ChemAxon formula C9H16Ca2Cl2NO5 ChemAxon inchi InChI=1S/C9H17NO5.2Ca.2ClH/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;;;;/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);;;2*1H/q;2*+2;;/p-3 ChemAxon inchikey QGWZUKRMHMQGMZ-UHFFFAOYSA-K ChemAxon polar_surface_area 109.69 ChemAxon refractivity 62.35 ChemAxon polarizability 21.56 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 1 ChemAxon Specdb::MsMs 1239658 Specdb::MsMs 1239659 Specdb::MsMs 1239660