barium sulphate (Varibar) Report issue

Small molecule Approved FDA
AACT ChEMBL DrugBank Drug Central Drugs@FDA KEGG MeSH PubChem

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Chemistry

Mol. Mass

521.69

ALogP

Missing data

Rule of 5

Missing data

Rule of 3

Missing data
Details
  • SMILES: [Ba++].CC1=CC=C(\N=N\C2=C3C=CC=CC3=CC(C([O-])=O)=C2O)C(=C1)S([O-])(=O)=O
  • InChIKey: GSEGKBMSKPDICA-RZLHGTIFSA-L
    1S/C18H14N2O6S.Ba/c1-10-6-7-14(15(8-10)27(24,25)26)19-20-16-12-5-3-2-4-11(12)9-13(17(16)21)18(22)23;/h2-9,21H,1H3,(H,22,23)(H,24,25,26);/q;+2/p-2/b20-19+;
  • Chirality: None
  • Inorganic: Yes
  • Polymer: No

Sources

CHEMBL2105897   ChEMBL
barium sulfate

K4XZD9W99K   NCATS
d&c red no. 6 barium lake *

25BB7EKE2E   NCATS
barium sulfate

Barium   Wikipedia

Barium sulfate   Wikipedia

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