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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL46058
CHEMBL46058
Compound Name ETHYL CHLORIDE
ChEMBL Synonyms CHLOROETHANE | Ethyl Chloride
Max Phase 4 (Approved)
Trade Names
Molecular Formula C2H5Cl

Additional synonyms for CHEMBL46058 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCl
Standard InChI InChI=1S/C2H5Cl/c1-2-3/h2H2,1H3
Standard InChI Key HRYZWHHZPQKTII-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


CHEMBL46058

Molecule Features

CHEMBL46058 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

Clinical Data

ClinicalTrials.gov ETHYL CHLORIDE
The Cochrane Collaboration ETHYL CHLORIDE

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
64.5 64.008 1.25 0 0 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 1.62 1.62 0 3 0.37

Structural Alerts

There are 6 structural alerts for CHEMBL46058. To view alerts please click here.

Compound Cross References

ATC N - NERVOUS SYSTEM
N01 - ANESTHETICS
N01B - ANESTHETICS, LOCAL
N01BX - Other local anesthetics
N01BX01 - ethyl chloride

ChemSpider ChemSpider:HRYZWHHZPQKTII-UHFFFAOYSA-N
Wikipedia Chloroethane

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL46058



ACToR 75-00-3 68411-72-3 16520-13-1
Brenda 8064
ChEBI 47554
DrugBank DB13259
DrugCentral 3196
eMolecules 475405
EPA CompTox Dashboard DTXSID1020302
FDA SRS 46U771ERWK
KEGG Ligand C18248
MolPort MolPort-001-785-829
Nikkaji J2.386H
NMRShiftDB 10005618
PubChem 6337
PubChem: Thomson Pharma 15194133
SureChEMBL SCHEMBL20021

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