PHENOBARBITAL SODIUM

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Synonyms
Status
Molecule Category Salt-form
UNII SW9M9BB5K3
EPA CompTox DTXSID0021123
Parent Compound:

Structure

InChI Key WRLGYAWRGXKSKG-UHFFFAOYSA-M
Smiles CCC1(c2ccccc2)C(=O)N=C([O-])NC1=O.[Na+]
InChI
InChI=1S/C12H12N2O3.Na/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16;/h3-7H,2H2,1H3,(H2,13,14,15,16,17);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H11N2NaO3
Molecular Weight 254.22
AlogP 0.7
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 75.27
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 17.0

Cross References

Resources Reference
ChEBI 8070
ChEMBL CHEMBL149972
FDA SRS SW9M9BB5K3
PubChem 12598276
SureChEMBL SCHEMBL42037
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