docusate Report issue

Small molecule Experimental
AACT ChEMBL DrugBank Drug Central KEGG MeSH PubChem

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Chemistry

Mol. Mass

422.58

ALogP

4.15

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)O
  • InChIKey: HNSDLXPSAYFUHK-UHFFFAOYSA-N
    InChI=1S/C20H38O7S/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2/h16-18H,5-15H2,1-4H3,(H,23,24,25)
  • Chirality: Racemic Mixture
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1477036   ChEMBL
docusate *

CHEMBL1905872   ChEMBL
docusate sodium

CHEMBL2106608   ChEMBL
docusate calcium

M7P27195AG   NCATS
docusate *

Docusate   Wikipedia

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