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. 2024 Mar 20;22(3):e8670. doi: 10.2903/j.efsa.2024.8670
Code/trivial name a IUPAC name/SMILES notation/InChiKey b Structural formula c
quinolin‐8‐ol, 8‐hydroxyquinoline

quinolin‐8‐ol

Oc1cccc2cccnc12

MCJGNVYPOGVAJF‐UHFFFAOYSA‐N

graphic file with name EFS2-22-e8670-g001.jpg
bis(8‐hydroxyquinolinium)sulfate, quinoline‐8‐ol sulfate, 8‐hydroxyquinoline sulfate

bis(8‐hydroxyquinolinium) sulfate

[O‐]S([O‐])(=O) = O.Oc1cccc2ccc[nH+]c12.Oc1cccc2ccc[nH+]c12 YYVFXSYQSOZCOQ‐UHFFFAOYSA‐N

graphic file with name EFS2-22-e8670-g002.jpg
quinolin‐8‐ol sulfate conjugate

quinolin‐8‐yl hydrogen sulfate

O=S(=O)(O)Oc1cccc2cccnc12

OVVVIXKMDXTHQB‐ADIAMYLASA‐N

graphic file with name EFS2-22-e8670-g003.jpg
quinolin‐8‐ol glucuronide conjugate

quinolin‐8‐yl D‐glucopyranosiduronic acid

O=C(O)[C@H]1OC(Oc2cccc3cccnc23)[C@H](O)[C@@H](O)[C@@H]1O

DPEGQJDYRIQRHI‐HXMBFPRCSA‐N

graphic file with name EFS2-22-e8670-g005.jpg
a

The name in bold is the name used in the conclusion.

b

ACD/Name 2021.1.3 ACD/Labs 2021.1.3 (File Version N15E41, Build 123232, 7 July 2021).

c

ACD/ChemSketch 2021.1.3 ACD/Labs 2021.1.3 (File Version C25H41, Build 123835, 29 August 2021).