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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1400
CHEMBL1400
Compound Name O-DESMETHYL TRAMADOL
ChEMBL Synonyms O-desmethyl tramadol
Max Phase 0
Trade Names
Molecular Formula C15H23NO2

Additional synonyms for CHEMBL1400 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)C[C@H]1CCCC[C@]1(O)c2cccc(O)c2
Standard InChI InChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-1 ...
Download InChI
Standard InChI Key UWJUQVWARXYRCG-HIFRSBDPSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1400

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
249.4 249.1729 2.48 3 43.7 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10 9.61 1.78 -.25 1 18 0.87

Structural Alerts

There are no structural alerts for CHEMBL1400

Compound Cross References

ChemSpider ChemSpider:UWJUQVWARXYRCG-HIFRSBDPSA-N
PubChem SID: 29217699
Wikipedia O-Desmethyltramadol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1400



ACToR 144830-14-8
BindingDB 50176258 50176263
eMolecules 26757428
IBM Patent System 2C20375159B8D1E391ED83C600FC7B52
Nikkaji J434.999G
PubChem 9838803
PubChem: Thomson Pharma 16145150 15122179
SureChEMBL SCHEMBL2517055
ZINC ZINC000002509756

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