AMOBARBITAL SODIUM [USP]

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Keyword(s): Human Neurotoxin
Molecule Category Salt-form
EPA CompTox DTXSID40213975

Structure

InChI Key BNHGKKNINBGEQL-UHFFFAOYSA-M
Smiles [Na+].CCC1(CCC(C)C)C(=O)NC([O-])=NC1=O
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 248.11
AlogP -1.33
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 85.08
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 64-43-7
NORMAN SUSDAT
CONTENTS