CLOQUINATE

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 Search

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	( + / - )

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/29015578 | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2027535/

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

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:41:59 UTC 2023` Edited by `admin` on `Fri Dec 15 17:41:59 UTC 2023`
Record UNII	KI24A9FF7S
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CLOQUINATE

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)

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