5,7-diiodoquinolin-8-ol

• ChemBase ID: 103201
• Molecular Formular: C9H5I2NO
• Molecular Mass: 396.95104
• Monoisotopic Mass: 396.84605979
• SMILES: Oc1c(I)cc(I)c2cccnc12
• Canonical SMILES: Ic1cc(I)c2c(c1O)nccc2
• InChI: InChI=1S/C9H5I2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
• InChIKey: UXZFQZANDVDGMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,7-diiodoquinolin-8-ol
• IUPAC Traditional name: iodoquinol
• Synonyms: Diiodohydroxyquinoline; 5,7-Diiodo-8-hydroxyquinoline; 5,7-Diiodo-8-quinolinol; 5,7-DIIODO-8-HYDROXYQUINOLINE; 5,7-Diiodoquinolin-8-ol; 5,7-Diiodo-8-hydroxyquinoline; 5,7-Diiodooxine; 8-Hydroxy-5,7-diiodoquinoline; Di-Quinol; Diamoebin; Diiodohydroxyquin; Diiodohydroxyquinoline; Diiodoquin; Diiodoquinol; Dinoleine; Diodohydroxyquin; Diodoquin; Diodoxylin; Direxiode; Disoquin; Dyodin; Embequin; Enterodiamoebin; Enterosept; Floraquin; Lanodoxin; Moebiquin; NSC 74939; NSC 8704; Quinadome; Rafamebin; SS 578; Searlequin; Searlewuin; Sebaquin; Stanquinate; Yodoxin; Zoaquin; Iodoquinol; 双碘喹啉; 5,7-二碘-8-羟基喹啉

Database IDs

• CAS Number: 83-73-8
• EC Number: 201-497-9
• MDL Number: MFCD00006789
• PubChem SID: 162090564; 24893382
• PubChem CID: 3728
• ATC CODE: G01AC01
• CHEMBL: 86754
• Chemspider ID: 3597
• KEGG ID: D00581
• MeSH Name: Iodoquinol
• Wikipedia Title: Diiodohydroxyquinoline

CALCULATED PROPERTIES

• Acid pKa: 7.386588
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.6746104
• LogD (pH = 7.4): 3.378928
• Log P: 3.685224
• Molar Refractivity: 68.6852 cm^3
• Polarizability: 27.999247 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >200 °C (dec.)(lit.)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: VC5775000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-41
• Safety Statements: 26-36/37/39
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H318
• GHS Precautionary statements: P280-P305 + P351 + P338

Product Information

• Purity: ~98%; 95+%; 97%
• Empirical Formula (Hill Notation): C9H5I2NO

DETAILS

MP Biomedicals - 05212019

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02150912

Purity: ~98%

Sigma Aldrich - D123609

Packaging
100 g in glass bottle
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. D123609.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.

Toronto Research Chemicals - I728400

Antiamebic.

REFERENCES

• Lawrence, S., et al.: J. Biol. Chem., 284, 35807 (2009)
• Gohil, V., et al.: Nat. Biotechnol., 28, 249 (2009)