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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL591665
CHEMBL591665
Compound Name SODIUM ASCORBATE
ChEMBL Synonyms SODIUM ASCORBATE | ASCORBIN | E301 | CEVALIN
Max Phase 4 (Approved)
Trade Names ASCORBIN | Sodium Ascorbate | CEVALIN
Molecular Formula C6H7NaO6

Additional synonyms for CHEMBL591665 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Na+].OC[C@H](O)[C@H]1OC(=O)C(=C1[O-])O
Standard InChI InChI=1S/C6H8O6.Na/c7-1-2(8)5-3(9)4(10)6(11)12-5;/h2,5,7-10H ...
Download InChI
Standard InChI Key PPASLZSBLFJQEF-RXSVEWSESA-M

Sources

  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL591665

Molecule Features

CHEMBL591665 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Unknown Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Prescription-only

Clinical Data

ClinicalTrials.gov SODIUM ASCORBATE
The Cochrane Collaboration SODIUM ASCORBATE

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
- - - - - -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
- - - - - -


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

Structural Alerts

There are no structural alerts for CHEMBL591665

Compound Cross References

ChemSpider ChemSpider:PPASLZSBLFJQEF-RXSVEWSESA-M
DailyMed sodium ascorbate
PubChem SID: 144210873
Wikipedia Sodium_ascorbate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL591665



ACToR 129940-98-3 58657-35-5
ChEBI 113451
eMolecules 478680 30316092 716912
EPA CompTox Dashboard DTXSID0020105
FDA SRS S033EH8359
Metabolights MTBLC113451
Nikkaji J5.221C
PharmGKB PA166163262
PubChem 54685048 23667548
PubChem: Thomson Pharma 16460406 16118867
SureChEMBL SCHEMBL3745

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