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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1201344
CHEMBL1201344
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H30NO3

Additional synonyms for CHEMBL1201344 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(C(=O)OC1CC2CCC(C1)[N+]23CCCC3)(c4ccccc4)c5ccccc5
Standard InChI InChI=1S/C25H30NO3/c27-24(25(28,19-9-3-1-4-10-19)20-11-5-2-6 ...
Download InChI
Standard InChI Key OYYDSUSKLWTMMQ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1201344

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
392.5 392.2226 2.35 5 46.53 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.23 - -1.44 -1.44 2 29 0.63

Structural Alerts

There are 4 structural alerts for CHEMBL1201344. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OYYDSUSKLWTMMQ-UHFFFAOYSA-N
PubChem SID: 174006890
Wikipedia Trospium_chloride

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1201344



Guide to Pharmacology 7480
Human Metabolome Database HMDB14354
IBM Patent System 780551C734023B050F51689E5E90DE1B BE31C15E8CA624FFDE2ADA66103D1938
PharmGKB PA164748976
PubChem 5596
SureChEMBL SCHEMBL724191

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