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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1201324
CHEMBL1201324
Compound Name IODOXAMATE
ChEMBL Synonyms CHOLOVUE | IODOXAMATE MEGLUMINE
Max Phase 4 (Approved)
Trade Names CHOLOVUE
Molecular Formula C26H28I6N2O10

Additional synonyms for CHEMBL1201324 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(CCOCCOCCOCCOCCC(=O)Nc1c(I)cc(I)c(C(=O)O)c1I)Nc2c(I)cc(I)c ...
Download SMILES
Standard InChI InChI=1S/C26H28I6N2O10/c27-13-11-15(29)23(21(31)19(13)25(37) ...
Download InChI
Standard InChI Key HHQDKJFFTPIGDX-UHFFFAOYSA-N

Sources

  • Orange Book
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1201324

Molecule Features

CHEMBL1201324 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:Discontinued

Clinical Data

ClinicalTrials.gov IODOXAMATE
The Cochrane Collaboration IODOXAMATE

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
1289.9 1289.6012 - - - -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
- - - - - -


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - - - - - -0

Structural Alerts

There are no structural alerts for CHEMBL1201324

Compound Cross References

ChemSpider ChemSpider:HHQDKJFFTPIGDX-UHFFFAOYSA-N
Wikipedia Iodoxamic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1201324



PubChem 49800009

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