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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H26ClN3.2C9H6INO4S
Molecular Weight 1022.108
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CLOQUINATE, (R)-

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)CCC[C@@H](C)NC5=CC=NC6=CC(Cl)=CC=C56

InChI

InChIKey=USABWIQJRBGMKQ-FMOMHUKBSA-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)/t14-;;/m1../s1

HIDE SMILES / InChI

Molecular Formula C18H26ClN3
Molecular Weight 319.872
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:35:55 GMT 2023
Edited
by admin
on Sat Dec 16 10:35:55 GMT 2023
Record UNII
X9IV5G00FJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CLOQUINATE, (R)-
Common Name English
5-QUINOLINESULFONIC ACID, 8-HYDROXY-7-IODO-, COMPD. WITH N4-(7-CHLORO-4-QUINOLINYL)-N1,N1-DIETHYL-1,4-PENTANEDIAMINE (2:1), (R)-
Systematic Name English
Code System Code Type Description
PUBCHEM
124220645
Created by admin on Sat Dec 16 10:35:55 GMT 2023 , Edited by admin on Sat Dec 16 10:35:55 GMT 2023
PRIMARY
FDA UNII
X9IV5G00FJ
Created by admin on Sat Dec 16 10:35:55 GMT 2023 , Edited by admin on Sat Dec 16 10:35:55 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER