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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1234579
CHEMBL1234579
Compound Name NITROUS OXIDE
ChEMBL Synonyms NITROGEN MONOXIDE | NITROUS OXIDE
Max Phase 4 (Approved)
Trade Names
Molecular Formula N2O

Additional synonyms for CHEMBL1234579 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [O-][N+]#N
Standard InChI InChI=1S/N2O/c1-2-3
Standard InChI Key GQPLMRYTRLFLPF-UHFFFAOYSA-N

Sources

  • British National Formulary
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1234579

Molecule Features

CHEMBL1234579 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:Unknown

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
ANEMIA, SICKLE CELLD000755Orphanet:232SICKLE CELL ANEMIA2ClinicalTrials
OPIOID-RELATED DISORDERSD009293EFO:0005611OPIOID DEPENDENCE2ClinicalTrials
BIPOLAR DISORDERD001714EFO:0000289BIPOLAR DISORDER2ClinicalTrials
DEPRESSIVE DISORDERD003866EFO:0003761UNIPOLAR DEPRESSION2ClinicalTrials
COLORECTAL NEOPLASMSD015179EFO:0000365COLORECTAL ADENOCARCINOMA3ClinicalTrials
PAIND010146EFO:0003843PAIN2ClinicalTrials

Clinical Data

ClinicalTrials.gov NITROUS OXIDE
The Cochrane Collaboration NITROUS OXIDE

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
44 44.0011 -0.66 0 54.46 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 0 0 3 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - .43 .43 0 3 0.27

Structural Alerts

There are 9 structural alerts for CHEMBL1234579. To view alerts please click here.

Compound Cross References

ATC N - NERVOUS SYSTEM
N01 - ANESTHETICS
N01A - ANESTHETICS, GENERAL
N01AX - Other general anesthetics
N01AX63 - nitrous oxide, combinations

N - NERVOUS SYSTEM
N01 - ANESTHETICS
N01A - ANESTHETICS, GENERAL
N01AX - Other general anesthetics
N01AX13 - nitrous oxide

ChemSpider ChemSpider:GQPLMRYTRLFLPF-UHFFFAOYSA-N
Wikipedia Nitrous_oxide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1234579



ACToR 10024-97-2
Brenda 1327 3355
ChEBI 17045
DrugBank DB06690
DrugCentral 4238
eMolecules 3715154
EPA CompTox Dashboard DTXSID8021066
FDA SRS K50XQU1029
Human Metabolome Database HMDB35807
KEGG Ligand C00887
Metabolights MTBLC17045
Nikkaji J2.255.097G
PDBe N2O
PubChem 948
PubChem: Thomson Pharma 15170306 15218584 16019504
SureChEMBL SCHEMBL23060

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