Calcium bucloxate

calcium bis(4-(3-chloro-4-cyclohexylphenyl)-4-oxobutanoate)

Also Known As: Calcium bucloxate|Calcium esfar|Esfar calcium|Bucloxic acid calcium salt|Bucloxic acid calcium|CB 804 calcium|Bucloxinsaeure kalzium|Acide bucloxique calcium|Bucloxonic acid calcium salt|Bucloxinsaeure kalzium [German]|Acide bucloxique calcium [French]|2C16H18ClO3.Ca|C16H19ClO3.1/2Ca|CB-804|Calcium 3-chloro-4-cyclohexyl-gamma-oxobenzenebutyrate|BUCLOXIC ACID CALCIUM SALT [MI]|3-(3-Chloro-4-cyclohexylbenzoyl)propionic acid calcium salt|3-Chloro-4-cyclohexyl-alpha-oxobenzenebutanoic acid calcium salt|4-(3-Chloro-4-cyclohexylphenyl)-4-oxobutyric acid calcium salt|4-(4-Cyclohexyl-3-chlorophenyl)-4-oxobutyric acid calcium salt|calcium 4-(3-chloro-4-cyclohexylphenyl)-4-oxobutanoate|calcium;4-(3-chloro-4-cyclohexylphenyl)-4-oxobutanoate|4-(3-Chlor-4-cyclohexyl-phenyl)-4-oxo-buttersaeure kalzium|4-(3-Chlor-4-cyclohexyl-phenyl)-4-oxo-buttersaeure kalzium [German]|Benzenebutanoic acid, 3-chloro-4-cyclohexyl-alpha-oxo-, calcium salt|l'Acide (cyclohexyl-4, chloro-3, phenyl)-4, oxo-4, butyrique calcium [French]|Propionic acid, 3-(3-chloro-4-cyclohexylbenzoyl)-, calcium salt|l'Acide (cyclohexyl-4, chloro-3, phenyl)-4, oxo-4, butyrique calcium|calcium bis[4-(3-chloro-4-cyclohexylphenyl)-4-oxobutanoate]|Benzenebutanoic acid, 3-chloro-4-cyclohexyl-.gamma.-oxo-, calcium salt|BENZENEBUTANOIC ACID, 3-CHLORO-4-CYCLOHEXYL-.GAMMA.-OXO-, CALCIUM SALT (2:1)|251-232-6

Molecular Formula	C32H36CaCl2O6
Molecular Weight	626.1515 g/mol
LogP	5.8202
Topological Polar Surface Area	114.0 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	8
Exact Mass	626.1515
Monoisotopic Mass	626.1515
Heavy Atoms	41
Complexity	344.0

Chemical Identifiers

CAS Number	32808-53-0
SMILES	C1CCC(CC1)C2=C(C=C(C=C2)C(=O)CCC(=O)[O-])Cl.C1CCC(CC1)C2=C(C=C(C=C2)C(=O)CCC(=O)[O-])Cl.[Ca+2]
InChIKey	FKJKZQUQHXSBHB-UHFFFAOYSA-L