4815
  Mrv0541 02231217562D          

 13 14  0  0  0  0            999 V2000
    1.6498   -0.6970    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    3.0786    1.7777    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0786   -1.5219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5303   -0.7257    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7929    0.5403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7929   -0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0786   -0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0786    0.9528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5303    0.9814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3641   -0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3641    0.5403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2777    0.5574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2777   -0.3018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2  8  1  0  0  0  0
  3  7  1  0  0  0  0
  4  6  1  0  0  0  0
  4 13  2  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  2  0  0  0  0
  9 12  2  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <DRUGBANK_ID>
DB04815

> <DRUG_GROUPS>
withdrawn

> <GENERIC_NAME>
Clioquinol

> <SYNONYMS>
5-Chlor-7-jod-8-hydroxy-chinolin [German]; 5-Chloro-7-iodo-8-hydroxyquinoline; 5-Chloro-7-iodo-8-quinolinol; 5-Chloro-7-iodoquinolin-8-ol; 5-Chloro-8-hydroxy-7-iodoquinoline; 7-Iodo-5-chloro-8-hydroxyquinoline; 7-Iodo-5-chloroxine; Caswell No. 193; Chloro-8-hydroxyiodoquinoline; Chloroiodoquin; Chloroiodoquine; Cliochinolo [dcit]; Clioquinolum [inn-latin]; IODO; Iodochlorhydroxyquin; Iodochlorhydroxyquinol; Iodochlorhydroxyquinoline; Iodochlorohydroxyquin; Iodochlorohydroxyquinoline; Iodochloroquine; Iodochloroxine; Iodochloroxychinolinum; Iodochloroxyquinoline; Iodoxyquinoline; Jodchloroxychinolinum

> <BRANDS>
Ala-quin; Alchloquin; Alioform; Amebil; Amoenol; Bactol; Barquinol; Budoform; Chinoform; Chinoformum; Chlorojodochin; Cifoform; Cliochinolum; Cliquinol; Corque; Cortin; Cremo-quin; Dermaform; Dioquinol; Domeform; Eczecidin; Emaform; Enteritan; Entero-bio form; Entero-bioform; Entero-septol; Entero-vioform; Entero-vioformio; Enteroquinol; Enteroseptol; Enterovalodon; Enterozol; Enterseptol; Enterum locorten; Entrokin; Hi-eneterol; Hi-enterol; Hydriodide-enterol; Iodenterol; Iodoenterol; Lekosept; Loquinol; Mycoquin; Nioform; Oralcer; Quin-o-creme; Quinambicide; Quinoform; Rheaform; Rometin; Uad lotion

> <CHEMICAL_FORMULA>
C9H5ClINO

> <MOLECULAR_WEIGHT>
305.5

> <EXACT_MASS>
304.910434914

> <IUPAC_NAME>
5-chloro-7-iodoquinolin-8-ol

> <INCHI_IDENTIFIER>
InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H

> <INCHI_KEY>
InChIKey=QCDFBFJGMNKBDO-UHFFFAOYSA-N

> <SMILES>
OC1=C(I)C=C(Cl)C2=C1N=CC=C2

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_DONOR_COUNT>
1

> <ALOGPS_LOGP>
3.66

> <JCHEM_LOGP>
3.36

> <ALOGPS_LOGS>
-3.1

> <JCHEM_POLARIZABILITY>
22.63

> <JCHEM_POLAR_SURFACE_AREA>
33.12

> <JCHEM_REFRACTIVITY>
60.13

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <ALOGPS_SOLUBILITY>
2.64e-01 g/l

$$$$