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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1201352
CHEMBL1201352
Compound Name RAPACURONIUM
ChEMBL Synonyms RAPACURONIUM BROMIDE | ORG-9487 | ORG 9487 | RAPLON
Max Phase 4 (Approved)
Withdrawn Yes
Trade Names RAPLON
Molecular Formula C37H61N2O4

Additional synonyms for CHEMBL1201352 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(=O)C)[C@ ...
Download SMILES
Standard InChI InChI=1S/C37H61N2O4/c1-6-20-39(21-12-9-13-22-39)32-24-30-28- ...
Download InChI
Standard InChI Key HTIKWNNIPGXLGM-YLINKJIISA-N

Sources

  • Orange Book
  • PubChem BioAssays
  • USP Dictionary of USAN and International Drug Names
  • Withdrawn Drugs

Alternate Forms of Compound in ChEMBL


CHEMBL1201352

Molecule Features

CHEMBL1201352 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:N Availability Type:Withdrawn

Withdrawal Information

Year 2001
Country United States
Reason Fatal bronchospasm

Mechanism of Action

Mechanism of Action ChEMBL Target References
Muscle-type nicotinic acetylcholine receptor antagonist Muscle-type nicotinic acetylcholine receptor FDA KEGG

Clinical Data

ClinicalTrials.gov RAPACURONIUM
The Cochrane Collaboration RAPACURONIUM

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
597.9 597.4631 5.43 9 55.84 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 0 2 6 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.84 2.24 1.36 0 43 0.2

Structural Alerts

There are 5 structural alerts for CHEMBL1201352. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HTIKWNNIPGXLGM-YLINKJIISA-N
Wikipedia Rapacuronium

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1201352



ChEBI 135845
DrugBank DB04834
DrugCentral 3520
FDA SRS GG1LBM463S
IBM Patent System E62B22BD2BF26BA477DBF2040D171558
Nikkaji J691.409H
PubChem 5311399
SureChEMBL SCHEMBL16977930
ZINC ZINC000003943562

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