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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1161681
CHEMBL1161681
Compound Name NITROUS ACID
ChEMBL Synonyms Nitrite (No2-) | SODIUM NITRITE | E250
Max Phase 4 (Approved)
Trade Names SODIUM NITRITE
Molecular Formula HNO2

Additional synonyms for CHEMBL1161681 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES ON=O
Standard InChI InChI=1S/HNO2/c2-1-3/h(H,2,3)
Standard InChI Key IOVCWXUNBOPUCH-UHFFFAOYSA-N

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


CHEMBL1161681

Molecule Features

CHEMBL1161681 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 NITROUS ACID
The Cochrane Collaboration NITROUS ACID

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 CHEMBL1161681. 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:IOVCWXUNBOPUCH-UHFFFAOYSA-N
DailyMed sodium nitrite
Wikipedia Nitrous_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1161681



ACToR 17310-27-9 7782-77-6
Brenda 169620 1445 11165
ChEBI 25567
EPA CompTox Dashboard DTXSID7064813
FDA SRS T2I5UM75DN
KEGG Ligand C00088
Metabolights MTBLC25567
Nikkaji J4.496B
PubChem 24529
PubChem: Thomson Pharma 16105026
SureChEMBL SCHEMBL1057

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