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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1200682
CHEMBL1200682
Compound Name SODIUM OXYBATE
ChEMBL Synonyms SODIUM OXYBATE | XYREM | WY-3478
Max Phase 4 (Approved)
Trade Names XYREM
Molecular Formula C4H7NaO3

Additional synonyms for CHEMBL1200682 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Na+].OCCCC(=O)[O-]
Standard InChI InChI=1S/C4H8O3.Na/c5-3-1-2-4(6)7;/h5H,1-3H2,(H,6,7);/q;+1/p ...
Download InChI
Standard InChI Key XYGBKMMCQDZQOZ-UHFFFAOYSA-M

Sources

  • British National Formulary
  • Orange Book
  • Patent Bioactivity Data
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1200682

Molecule Features

CHEMBL1200682 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
GABA-B receptor agonist GABA-B receptor DailyMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
NarcolepsyD009290EFO:0000614narcolepsy with cataplexy3ClinicalTrials
Feeding and Eating DisordersD001068EFO:0005203eating disorder2ClinicalTrials
HemiplegiaD006429Orphanet:2131Alternating hemiplegia of childhood1ClinicalTrials
PainD010146EFO:0003843pain3ClinicalTrials
Essential TremorD020329EFO:0003108essential tremor2ClinicalTrials
FibromyalgiaD005356EFO:0005687fibromyalgia3ClinicalTrials
Sleep Initiation and Maintenance DisordersD007319EFO:0004698insomnia2ClinicalTrials
Parkinson DiseaseD010300EFO:0002508Parkinson's disease2ClinicalTrials

Clinical Data

ClinicalTrials.gov SODIUM OXYBATE
The Cochrane Collaboration SODIUM OXYBATE

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
104.1 104.0473 -0.16 3 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
4.67 - -.76 -3.47 0 7 0.52

Structural Alerts

There are no structural alerts for CHEMBL1200682

Compound Cross References

ATC N - NERVOUS SYSTEM
N01 - ANESTHETICS
N01A - ANESTHETICS, GENERAL
N01AX - Other general anesthetics
N01AX11 - sodium oxybate

N - NERVOUS SYSTEM
N07 - OTHER NERVOUS SYSTEM DRUGS
N07X - OTHER NERVOUS SYSTEM DRUGS
N07XX - Other nervous system drugs
N07XX04 - sodium oxybate

ChemSpider ChemSpider:XYGBKMMCQDZQOZ-UHFFFAOYSA-M
DailyMed sodium oxybate
PubChem SID: 144206424
Wikipedia Sodium_oxybate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1200682



ACToR 502-85-2
ChemicalBook CB7491645
DrugBank DB09072
eMolecules 539106
EPA CompTox Dashboard DTXSID3048940
FDA SRS 7G33012534
Nikkaji J6.207C
PubChem 23663870
PubChem: Thomson Pharma 15146566
SureChEMBL SCHEMBL61823

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