hexobarbital Report issue

Small molecule Experimental
ChEMBL DrugBank Drug Central KEGG MeSH PubChem

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Chemistry

Mol. Mass

258.2489

ALogP

1.2

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: [Na+].CN1C(=O)[N-]C(=O)C(C)(C1=O)C2=CCCCC2
  • InChIKey: SQMCFUSVGSBKFK-UHFFFAOYSA-M
    1S/C12H16N2O3.Na/c1-12(8-6-4-3-5-7-8)9(15)13-11(17)14(2)10(12)16;/h6H,3-5,7H2,1-2H3,(H,13,15,17);/q;+1/p-1
  • Chirality: Racemic Mixture
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL7728   ChEMBL
hexobarbital

I788X867K7   NCATS
hexobarbital sodium *

Hexobarbital   Wikipedia

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