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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1551365
CHEMBL1551365
Compound Name ETHYL NITRITE [SPIRIT]
ChEMBL Synonyms ETHYL NITRITE [SPIRIT] | SPIRIT OF NITROUS ETHER | NITRE, SWEET SPIRIT OF
Max Phase 4 (Approved)
Withdrawn Yes
Trade Names
Molecular Formula C2H5NO2

Additional synonyms for CHEMBL1551365 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCON=O
Standard InChI InChI=1S/C2H5NO2/c1-2-5-3-4/h2H2,1H3
Standard InChI Key QQZWEECEMNQSTG-UHFFFAOYSA-N

Sources

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  • Withdrawn Drugs

Alternate Forms of Compound in ChEMBL


CHEMBL1551365

Molecule Features

CHEMBL1551365 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Withdrawn

Withdrawal Information

Year
Country United States
Reason
Class

Clinical Data

ClinicalTrials.gov ETHYL NITRITE [SPIRIT]
The Cochrane Collaboration ETHYL NITRITE [SPIRIT]

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
75.1 75.032 0.7 2 38.66 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - .71 .71 0 5 0.36

Structural Alerts

There are 7 structural alerts for CHEMBL1551365. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QQZWEECEMNQSTG-UHFFFAOYSA-N
PubChem SID: 144205921 SID: 29218000

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1551365



ACToR 109-95-5
eMolecules 496923
EPA CompTox Dashboard DTXSID9046574
FDA SRS 8C7CJ279RV
Human Metabolome Database HMDB0031239
MolPort MolPort-001-779-941
Nikkaji J47.917I
PubChem 8026
PubChem: Thomson Pharma 15321027
SureChEMBL SCHEMBL132415
ZINC ZINC000005650763

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