CCCC(C)C1(C(=O)NC(=O)[N-]C1=O)CC.[Na+]
Nombre: sodium 5-ethyl-5-pentan-2-ylpyrimidin-3-ide-2,4,6-trione
SMILES: CCCC(C)C1(C(=O)NC(=O)[N-]C1=O)CC.[Na+]

Molecular Processing

Molecular formula
C11H17N2NaO3
Molecular weight
248.26
Exact mass
248.1137
XLogP
-1.03
TPSA
77.34
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
17
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.727
Molar refractivity
58.7

Supplementary Information

InChIKey: QGMRQYFBGABWDR-UHFFFAOYSA-M
Sinónimos
Pentobarbital sodium [JAN]SCHEMBL4331710PENTOBARBITAL SODIUM [VANDF]PENTOBARBITAL SODIUM [MART.]PENTOBARBITAL SODIUM [WHO-DD]AKOS030529212PENTOBARBITAL SODIUM SALT [MI]PENTOBARBITAL SODIUM [GREEN BOOK]PENTOBARBITAL SODIUM [EP IMPURITY]PENTOBARBITAL SODIUM [ORANGE BOOK]PENTOBARBITAL SODIUM [EP MONOGRAPH]PENTOBARBITAL SODIUM [USP MONOGRAPH]2,4,6(1H,3H,5H)-PYRIMIDINETRIONE, 5-ETHYL-5-(1-METHYLBUTYL)-, SODIUM SALT (1:1)
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