AMOBARBITAL SODIUM

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Synonyms
Status
Molecule Category Salt-form
UNII G0313KNC7D
EPA CompTox DTXSID40213975

Structure

InChI Key BNHGKKNINBGEQL-UHFFFAOYSA-M
Smiles CCC1(CCC(C)C)C(=O)N=C([O-])NC1=O.[Na+]
InChI
InChI=1S/C11H18N2O3.Na/c1-4-11(6-5-7(2)3)8(14)12-10(16)13-9(11)15;/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H17N2NaO3
Molecular Weight 248.26
AlogP 1.39
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 78.76
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 16.0

Cross References

Resources Reference
ChEMBL CHEMBL2105941
FDA SRS G0313KNC7D
PubChem 13389383
SureChEMBL SCHEMBL1476423
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