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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL93268
CHEMBL93268
Compound Name SODIUM NITRITE
ChEMBL Synonyms SODIUM NITRITE | E250
Max Phase 4 (Approved)
Trade Names SODIUM NITRITE
Molecular Formula NNaO2

Additional synonyms for CHEMBL93268 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Na+].[O-]N=O
Standard InChI InChI=1S/HNO2.Na/c2-1-3;/h(H,2,3);/q;+1/p-1
Standard InChI Key LPXPTNMVRIOKMN-UHFFFAOYSA-M

Sources

  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL93268

Molecule Features

CHEMBL93268 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:Y Availability Type:Prescription-only

Clinical Data

ClinicalTrials.gov SODIUM NITRITE
The Cochrane Collaboration SODIUM NITRITE

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
47 47.0007 0.96 0 49.66 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.15 - -.32 -3.75 0 3 0.33

Structural Alerts

There are 7 structural alerts for CHEMBL93268. To view alerts please click here.

Compound Cross References

ATC V - VARIOUS
V03 - ALL OTHER THERAPEUTIC PRODUCTS
V03A - ALL OTHER THERAPEUTIC PRODUCTS
V03AB - Antidotes
V03AB08 - sodium nitrite

ChemSpider ChemSpider:LPXPTNMVRIOKMN-UHFFFAOYSA-M
DailyMed sodium nitrite
PubChem SID: 144209353 SID: 144210345 SID: 17388728 SID: 17389803
Wikipedia Sodium_nitrite

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL93268



ACToR 32863-15-3 7632-00-0
Brenda 3835 20521
ChEBI 78870
DrugBank DB09112
eMolecules 480853
EPA CompTox Dashboard DTXSID0020941
FDA SRS M0KG633D4F
MolPort MolPort-003-926-309
Nikkaji J44.040J
PharmGKB PA166115361
PubChem 23668193
PubChem: Thomson Pharma 15119603
Selleck sodium-nitrite
SureChEMBL SCHEMBL341

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