Pentobarbital Calcium

calcium bis(5-ethyl-2,6-dioxo-5-pentan-2-ylpyrimidin-4-olate)

Also Known As: Pentobarbital calcium|Repocal|Ravona|Nembutal calcium|Neodorm|Schlafen|Pentobarbital calcium salt|Insom-rapido|Calcium nembutal|Ravona (TN)|Neodorm (VAN)|Pentobarbital calcium [JAN]|(+/-)-Pentobarbital calcium|Pentobarbital calcium salt [MI]|CALCIUM PENTOBARBITAL|76-74-4, Pentobarbital|Pentobarbital calcium (JP17)|Pentobarbital calcium (JP18)|DEA NO. 2270 (Calcium)|PENTOBARBITAL CALCIUM [WHO-DD]|(+-)-PENTOBARBITAL CALCIUM|Calcium 5-ethyl-5-(1-methylbutyl)barbiturate|EINECS 231-460-2|Barbituric acid, 5-ethyl-5-(1-methylbutyl)-, calcium salt|2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(1-methylbutyl)-, calcium salt|calcium 5-ethyl-4,6-dioxo-5-pentan-2-yl-1H-pyrimidin-2-olate|calcium;5-ethyl-2,6-dioxo-5-pentan-2-ylpyrimidin-4-olate|2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(1-methylbutyl)-, calcium salt (2:1)|Monocalcium bis(5-ethyl-5-((1RS)-1-methylbutyl)-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-olate)|BARBITURIC ACID, 5-ETHYL-5-(1-METHYLBUTYL)-, CALCIUM SALT (2:1)|Barbituric acid, 5-ethyl-5-(1-methylbutyl)-, calcium salt (1:1)|calcium 5-ethyl-4,6-dioxo-5-(pentan-2-yl)-1,4,5,6-tetrahydropyrimidin-2-olate|2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(1-methylbutyl)-, calcium salt (1:1)|2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(1-methylbutyl)-, calcium salt (9CI)|231-460-2|Monocalcium bis{5-ethyl-5-[(1RS)-1-methylbutyl]-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-olate}

Molecular Formula	C22H34CaN4O6
Molecular Weight	490.21042 g/mol
LogP	1.2744
Topological Polar Surface Area	163.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	8
Exact Mass	490.21042
Monoisotopic Mass	490.21042
Heavy Atoms	33
Complexity	338.0

Chemical Identifiers

CAS Number	3330-47-0
SMILES	CCCC(C)C1(C(=O)NC(=O)N=C1[O-])CC.CCCC(C)C1(C(=O)NC(=O)N=C1[O-])CC.[Ca+2]
InChIKey	VBJLHIJEIVBIHF-UHFFFAOYSA-L