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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2107242
CHEMBL2107242
Compound Name SODIUM FORMALDEHYDE SULFOXYLATE
ChEMBL Synonyms SODIUM FORMALDEHYDE SULFOXYLATE
Max Phase 0
Trade Names
Molecular Formula CH3NaO3S

Additional synonyms for CHEMBL2107242 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Na+].OCS(=O)[O-]
Standard InChI InChI=1S/CH4O3S.Na/c2-1-5(3)4;/h2H,1H2,(H,3,4);/q;+1/p-1
Standard InChI Key XWGJFPHUCFXLBL-UHFFFAOYSA-M

Sources

  • PubChem BioAssays
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL2107242

Molecule Features

CHEMBL2107242 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unknown

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
96.1 95.9881 -0.84 1 57.53 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.84 - -1.92 -5.37 0 5 0.42

Structural Alerts

There are 2 structural alerts for CHEMBL2107242. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XWGJFPHUCFXLBL-UHFFFAOYSA-M
PubChem SID: 144208331

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2107242



ACToR 134036-48-9 149-44-0
eMolecules 3716383
EPA CompTox Dashboard DTXSID7027120
FDA SRS X4ZGP7K714
MolPort MolPort-006-111-078
Nikkaji J78.385D
PubChem 23689980
PubChem: Thomson Pharma 15170571
SureChEMBL SCHEMBL6786

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