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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3707369
CHEMBL3707369
Compound Name DECAMETHOXINE
ChEMBL Synonyms DECAMETHOXINE
Max Phase 0
Trade Names
Molecular Formula C38H74N2O4+2

Additional synonyms for CHEMBL3707369 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)C1CCC(C)CC1OC(=O)C[N+](C)(C)CCCCCCCCCC[N+](C)(C)CC(=O)O ...
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Standard InChI InChI=1S/C38H74N2O4/c1-29(2)33-21-19-31(5)25-35(33)43-37(41) ...
Download InChI
Standard InChI Key ZADGGFKUEYIBJC-UHFFFAOYSA-N

Sources

  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL3707369

Molecule Features

CHEMBL3707369 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N 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 DECAMETHOXINE
The Cochrane Collaboration DECAMETHOXINE

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
623 622.5638 8.27 19 52.6 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 0 2 6 0 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 4.24 4.24 0 44 0.08

Structural Alerts

There are 13 structural alerts for CHEMBL3707369. To view alerts please click here.

Compound Cross References

ATC D - DERMATOLOGICALS
D08 - ANTISEPTICS AND DISINFECTANTS
D08A - ANTISEPTICS AND DISINFECTANTS
D08AJ - Quaternary ammonium compounds
D08AJ10 - decamethoxine

ChemSpider ChemSpider:ZADGGFKUEYIBJC-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3707369



ChEBI 134717
DrugCentral 4919
Nikkaji J2.157.105I
PubChem 162291

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