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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1687
CHEMBL1687
Compound Name TUBOCURARINE CHLORIDE
ChEMBL Synonyms Tubocurarine chloride
Max Phase 0
Trade Names
Molecular Formula C37H41ClN2O6

Additional synonyms for CHEMBL1687 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Cl-].COc1cc2CC[N+](C)(C)[C@@H]3Cc4ccc(O)c(Oc5cc6[C@H](Cc7cc ...
Download SMILES
Standard InChI InChI=1S/C37H40N2O6.ClH/c1-38-14-12-24-19-32(42-4)33-21-27(2 ...
Download InChI
Standard InChI Key MHXYWXHKLBMJKL-QBYKQQEBSA-N

Sources

  • DrugMatrix
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database

Alternate Forms of Compound in ChEMBL


CHEMBL1687

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
609.7 609.2959 6.7 2 80.62 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 2 2 8 2 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.82 7.68 .77 .47 4 45 0.24

Structural Alerts

There are 4 structural alerts for CHEMBL1687. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MHXYWXHKLBMJKL-QBYKQQEBSA-N
Wikipedia Tubocurarine_chloride

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1687



Brenda 58895
PubChem 9917490
PubChem: Thomson Pharma 14887968
SureChEMBL SCHEMBL41170

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