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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL411675
CHEMBL411675
Compound Name EOSIN Y SODIUM
ChEMBL Synonyms Eosin Y Sodium
Max Phase 0
Trade Names
Molecular Formula C20H6Br4Na2O5

Additional synonyms for CHEMBL411675 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Na+].[Na+].[O-]C(=O)c1ccccc1C2=C3C=C(Br)C(=O)C(=C3Oc4c(Br)c ...
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Standard InChI InChI=1S/C20H8Br4O5.2Na/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28 ...
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Standard InChI Key SEACYXSIPDVVMV-UHFFFAOYSA-L

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL411675

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
647.9 643.7105 7.02 2 87.74 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 2 5 2 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.64 - 8.38 4.29 2 29 0.23

Structural Alerts

There are 10 structural alerts for CHEMBL411675. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SEACYXSIPDVVMV-UHFFFAOYSA-L
PubChem SID: 144205876 SID: 144212469 SID: 170466832
Wikipedia Eosin_Y

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL411675



ACToR 122199-14-8 17372-87-1
Brenda 80348
ChEBI 52053
eMolecules 475551 36761932
EPA CompTox Dashboard DTXSID0025234
FDA SRS TDQ283MPCW
Mcule MCULE-3311428648
MolPort MolPort-003-925-368
Nikkaji J79.244F
PubChem 2723833 11048
PubChem: Thomson Pharma 123104054
SureChEMBL SCHEMBL1506

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/SEACYXSIPDVVMV-UHFFFAOYSA-L spacer
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