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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1066
CHEMBL1066
Compound Name (R,R)-TRAMADOL
ChEMBL Synonyms Rel-Tramadol | CG-315E | U-26225A
Max Phase 0
Trade Names
Molecular Formula C16H25NO2

Additional synonyms for CHEMBL1066 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cccc(c1)[C@@]2(O)CCCC[C@@H]2CN(C)C
Standard InChI InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9- ...
Download InChI
Standard InChI Key TVYLLZQTGLZFBW-ZBFHGGJFSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1066

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
263.4 263.1885 2.63 4 32.7 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.61 2.32 .29 1 19 0.91

Structural Alerts

There are no structural alerts for CHEMBL1066

Compound Cross References

ChemSpider ChemSpider:TVYLLZQTGLZFBW-ZBFHGGJFSA-N
PubChem SID: 144205141 SID: 170464654 SID: 26663897 SID: 29215256 SID: 29215258
Wikipedia Tramadol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1066



ACToR 27203-92-5
BindingDB 50176259
ChEBI 75725
DrugBank DB00193
DrugCentral 2711
eMolecules 35864603 36754789
EPA CompTox Dashboard DTXSID90858931
FDA SRS 0NG5TTM63P
Human Metabolome Database HMDB0014339
IBM Patent System CE24628D3FD9970083E29898A7DD37D6 D04014ED2D4F63E5FC48A546AE52CBCB
KEGG Ligand C07153
LINCS LSM-5221
Mcule MCULE-8198453745
Metabolights MTBLC75725
Nikkaji J28.136K
PharmGKB PA451735
PubChem 33741
PubChem: Thomson Pharma 14823839 14848110
SureChEMBL SCHEMBL7464
ZINC ZINC000000000853

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