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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1767408
CHEMBL1767408
Compound Name DIQUAFOSOL TETRASODIUM
ChEMBL Synonyms DIQUAFOSOL TETRASODIUM | INS365
Max Phase 3
Trade Names
Molecular Formula C18H22N4Na4O23P4

Additional synonyms for CHEMBL1767408 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Na+].[Na+].[Na+].[Na+].O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(= ...
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Standard InChI InChI=1S/C18H26N4O23P4.4Na/c23-9-1-3-21(17(29)19-9)15-13(27) ...
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Standard InChI Key OWTGMPPCCUSXIP-FNXFGIETSA-J

Sources

  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1767408

Molecule Features

CHEMBL1767408 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
790.3 789.9938 -5.44 14 432.79 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
23 10 3 27 10 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
.4 - -5.28 -11.78 0 49 0.07

Structural Alerts

There are 12 structural alerts for CHEMBL1767408. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OWTGMPPCCUSXIP-FNXFGIETSA-J
Wikipedia Diquafosol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1767408



ACToR 211427-08-6
FDA SRS X8T9SBH9LL
Nikkaji J1.963.427B
PubChem 101761393 58582301 148196
PubChem: Drugs of the Future 12015210
PubChem: Thomson Pharma 15211108
SureChEMBL SCHEMBL1651092

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/OWTGMPPCCUSXIP-FNXFGIETSA-J spacer
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