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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1200527
CHEMBL1200527
Compound Name ATRACURIUM BESYLATE
ChEMBL Synonyms ATRACURIUM BESILATE | ATRACURIUM BESYLATE PRESERVATIVE FREE | ATRACURIUM BESYLATE | BW 33A | TRACRIUM PRESERVATIVE FREE | TRACRIUM
Max Phase 4 (Approved)
Trade Names ATRACURIUM BESYLATE | ATRACURIUM BESYLATE PRESERVATIVE FREE | Atracurium Besilate | TRACRIUM | TRACRIUM PRESERVATIVE FREE
Molecular Formula C65H82N2O18S2

Additional synonyms for CHEMBL1200527 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(CC2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N ...
Download SMILES
Standard InChI InChI=1S/C53H72N2O12.2C6H6O3S/c1-54(22-18-38-32-48(62-7)50(6 ...
Download InChI
Standard InChI Key XXZSQOVSEBAPGS-UHFFFAOYSA-L

Sources

  • British National Formulary
  • Orange Book
  • PubChem BioAssays
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1200527

Molecule Features

CHEMBL1200527 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Muscle-type nicotinic acetylcholine receptor antagonist Muscle-type nicotinic acetylcholine receptor DailyMed PubMed PubMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Muscle RelaxationD0091264DailyMed
DailyMed
DailyMed
DailyMed

Clinical Data

ClinicalTrials.gov ATRACURIUM BESYLATE
The Cochrane Collaboration ATRACURIUM BESYLATE

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
929.2 928.5074 8.07 24 126.44 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
12 0 3 14 0 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - -.27 -.27 4 67 0.04

Structural Alerts

There are 12 structural alerts for CHEMBL1200527. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XXZSQOVSEBAPGS-UHFFFAOYSA-L
DailyMed atracurium besylate
PubChem SID: 144204341 SID: 174006843

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1200527



ACToR 64228-81-5
ChEBI 2915
ChemicalBook CB7855410
DrugBank DB00732
eMolecules 534598
EPA CompTox Dashboard DTXSID6022630
MolPort MolPort-003-940-284
PubChem 47320
PubChem: Drugs of the Future 12013269
PubChem: Thomson Pharma 14792683
Selleck atracurium-besylate
SureChEMBL SCHEMBL41251

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