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Details

Stereochemistry RACEMIC
Molecular Formula C18H26ClN3.2C9H6INO4S
Molecular Weight 1022.108
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CLOQUINATE

SMILES

OC1=C2N=CC=CC2=C(C=C1I)S(O)(=O)=O.OC3=C4N=CC=CC4=C(C=C3I)S(O)(=O)=O.CCN(CC)CCCC(C)NC5=CC=NC6=CC(Cl)=CC=C56

InChI

InChIKey=USABWIQJRBGMKQ-UHFFFAOYSA-N
InChI=1S/C18H26ClN3.2C9H6INO4S/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18;2*10-6-4-7(16(13,14)15)5-2-1-3-11-8(5)9(6)12/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21);2*1-4,12H,(H,13,14,15)

HIDE SMILES / InChI

Molecular Formula C9H6INO4S
Molecular Weight 351.118
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C18H26ClN3
Molecular Weight 319.872
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Cloquinate is an amoebicidal drug, discovered in the 1950s. It is a salt of 7-iodo-8-oxyquinoline-5-sulfonic acid (Yatren) with resochin. Cloquinate was marketed by Bayer under tradename Resotren. In clinical trials, it was demonstrated to treat abdominal and hepatic symptoms of amoebiasis.

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 01:00:01 UTC 2023
Edited
by admin
on Thu Jul 06 01:00:01 UTC 2023
Record UNII
KI24A9FF7S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CLOQUINATE
INN  
INN  
Official Name English
cloquinate [INN]
Common Name English
8-HYDROXY-7-IODO-5-QUINOLINESULFONIC ACID COMPD WITH CHLOROQUINE (2:1) [MI]
Common Name English
8-HYDROXY-7-IODO-5-QUINOLINESULFONIC ACID COMPD WITH CHLOROQUINE (2:1)
MI  
Common Name English
7-CHLORO-4-((4-DIETHYLAMINO-1-METHYLBUTYL)AMINO)QUINOLINE DI(8-HYDROXY-7-IODO-5-QUINOLINESULFONATE)
Common Name English
7-CHLORO-4-((4-DIETHYLAMINO-1-METHYLBUTYL)AMINO)QUINOLINE DI(8-HYDROXY-7-IODO-5-QUINOLINESULPHONATE)
Common Name English
Code System Code Type Description
PUBCHEM
71670
Created by admin on Thu Jul 06 01:00:01 UTC 2023 , Edited by admin on Thu Jul 06 01:00:01 UTC 2023
PRIMARY
SMS_ID
100000084021
Created by admin on Thu Jul 06 01:00:01 UTC 2023 , Edited by admin on Thu Jul 06 01:00:01 UTC 2023
PRIMARY
MERCK INDEX
M6135
Created by admin on Thu Jul 06 01:00:01 UTC 2023 , Edited by admin on Thu Jul 06 01:00:01 UTC 2023
PRIMARY Merck Index
NCI_THESAURUS
C81577
Created by admin on Thu Jul 06 01:00:01 UTC 2023 , Edited by admin on Thu Jul 06 01:00:01 UTC 2023
PRIMARY
INN
855
Created by admin on Thu Jul 06 01:00:01 UTC 2023 , Edited by admin on Thu Jul 06 01:00:01 UTC 2023
PRIMARY
EVMPD
SUB06747MIG
Created by admin on Thu Jul 06 01:00:01 UTC 2023 , Edited by admin on Thu Jul 06 01:00:01 UTC 2023
PRIMARY
ECHA (EC/EINECS)
230-689-5
Created by admin on Thu Jul 06 01:00:01 UTC 2023 , Edited by admin on Thu Jul 06 01:00:01 UTC 2023
PRIMARY
EPA CompTox
DTXSID40993523
Created by admin on Thu Jul 06 01:00:01 UTC 2023 , Edited by admin on Thu Jul 06 01:00:01 UTC 2023
PRIMARY
FDA UNII
KI24A9FF7S
Created by admin on Thu Jul 06 01:00:01 UTC 2023 , Edited by admin on Thu Jul 06 01:00:01 UTC 2023
PRIMARY
CAS
7270-12-4
Created by admin on Thu Jul 06 01:00:01 UTC 2023 , Edited by admin on Thu Jul 06 01:00:01 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE