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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1201024
CHEMBL1201024
Compound Name METHSCOPOLAMINE BROMIDE
ChEMBL Synonyms PAMINE | PAMINE FORTE | METHSCOPOLAMINE BROMIDE
Max Phase 0
Trade Names
Molecular Formula C18H24BrNO4

Additional synonyms for CHEMBL1201024 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Br-].C[N+]1(C)[C@H]2C[C@@H](C[C@H]1[C@H]3O[C@@H]23)OC(=O)[C ...
Download SMILES
Standard InChI InChI=1S/C18H24NO4.BrH/c1-19(2)14-8-12(9-15(19)17-16(14)23-1 ...
Download InChI
Standard InChI Key CXYRUNPLKGGUJF-XKTSLVMZSA-M

Sources

  • DrugMatrix
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1201024

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
318.4 318.17 1.06 4 59.06 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - -2.41 -2.41 1 23 0.51

Structural Alerts

There are 9 structural alerts for CHEMBL1201024. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CXYRUNPLKGGUJF-XKTSLVMZSA-M

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1201024




UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/CXYRUNPLKGGUJF-XKTSLVMZSA-M spacer
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