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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2110902
CHEMBL2110902
Compound Name ACLATONIUM
ChEMBL Synonyms ACLATONIUM NAPADISYLATE | ACLATONIUM NAPADISILATE
Max Phase 0
Trade Names
Molecular Formula C10H20NO4+

Additional synonyms for CHEMBL2110902 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(OC(=O)C)C(=O)OCC[N+](C)(C)C
Standard InChI InChI=1S/C10H20NO4/c1-8(15-9(2)12)10(13)14-7-6-11(3,4)5/h8H, ...
Download InChI
Standard InChI Key SRZGFCNCQUMTCP-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL2110902

Molecule Features

CHEMBL2110902 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov ACLATONIUM
The Cochrane Collaboration ACLATONIUM

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
218.3 218.1387 0.19 5 52.6 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 0 0 5 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - -3.31 -3.31 0 15 0.49

Structural Alerts

There are 4 structural alerts for CHEMBL2110902. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SRZGFCNCQUMTCP-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2110902



ChEBI 134901
DrugCentral 81
IBM Patent System 7EC1836B4925F078C252F6CF77E6C30B
Nikkaji J340.700D
PubChem 2009
SureChEMBL SCHEMBL9794918

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