BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

Iodoquinol

Graphical representations:

Iodoquinol image

Molecular Formula: C9 H5 N O I2

Natural Isotopic Abundance Mass: 396.95104

Mono-Isotopic Molecular Masses:

  • C12N14: 396.8460497878
  • C13N14: 405.876243328
  • C12N15: 397.843084681
  • C13N15: 406.8732782212

InCHi String: InChI=1S/C9H5I2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H

Canonical and Isomeric SMILES: C1=CC2=C(C(=C(C=C2I)I)O)N=C1

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME
5,7-diiodoquinolin-8-ol

PUBCHEM iupac CAS NAME
5,7-diiodo-8-quinolinol

PUBCHEM iupac SYSTEMATIC NAME
5,7-bis(iodanyl)quinolin-8-ol

PubChem Substance (SID):   24893382   149740   29222848
PubChem Compound (CID):   3728
KEGG: Compound ID   C07636
CAS Registry IDs:   83-73-8
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CAS 83-73-8   MMCD cq_04594   MDL number MFCD00006789   Sigma-Aldrich D123609_ALDRICH   EPA Pesticide Chemical Code 024003   EPA DSSTox 23155   HSDB 3224   ChemIDplus 000083738   Caswell No. 354   ChemSpider 3597   EINECS 201-497-9   Beilstein Handbook Reference 5-21-03-00296   ChemDB 3967042   NIST 3865282559

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.