68559-55-7

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68559-55-7 Structure

Identification	Back Directory
[Name] 4-Oxo Ticlopidine
[CAS] 68559-55-7
[Synonyms] 4-Oxo Ticlopidine Ticlopidine IMpurity L Ticlodipine EP Impurity L Tihydrochloride EP Impurity L Ticlopidine Related CoMpound B Ticlopidine USP Related Compound B 5-(2-Chlorobenzyl)-6,7-dihydrothien Ticlopidine Hydrochloride Impurity L Ticlopidine hydrochloride EP Impurity L Ticlopidine IMpurity L (4-Oxo Ticlopidine) Ticlopidine EP Impurity L (4-Oxo Ticlopidine) Ticlopidine Impurity 12(Ticlopidine EP Impurity L) 5-(2-Chlorobenzyl)-6,7- dihydrothieno[3,2-c]pyridin-4(5H)-one 5-[(2-chlorophenyl)methyl]-6,7-dihydrothieno[3,2-c]pyridin-4-one 5-[(2-Chlorophenyl)Methyl]-6,7-dihydro-thieno[3,2-c]pyridin-4(5H)-one Ticlopidine Related Compound B (20 mg) (5-(2-chlorobenzyl)-4-oxo-4,5,6,7-tetrahydrothieno-[3,2-c]pyridine) Ticlopidine Related Compound B (5-(2-chlorobenzyl)-4-oxo-4,5,6,7-tetrahydrothieno-[3,2-c]pyridine) (1667166)
[Molecular Formula] C14H12ClNOS
[MOL File] 68559-55-7.mol
[Molecular Weight] 277.77

Chemical Properties	Back Directory
[Boiling point ] 464.5±45.0 °C(Predicted)
[density ] 1.364±0.06 g/cm3(Predicted)
[storage temp. ] 2-8°C
[pka] -1.60±0.20(Predicted)
[Major Application] pharmaceutical (small molecule)
[InChI] 1S/C14H12ClNOS/c15-12-4-2-1-3-10(12)9-16-7-5-13-11(14(16)17)6-8-18-13/h1-4,6,8H,5,7,9H2
[InChIKey] KQQBLQBNIVSMLU-UHFFFAOYSA-N
[SMILES] [s]1c2c(cc1)C(=O)N(CC2)Cc3c(cccc3)Cl

Safety Data	Back Directory
[Symbol(GHS) ] GHS08
[Signal word ] Danger
[Hazard statements ] H317-H334
[Precautionary statements ] P261-P280-P284-P304+P340-P342+P311
[WGK Germany ] WGK 3
[HS Code ] 2934990002
[Storage Class] 11 - Combustible Solids
[Hazard Classifications] Resp. Sens. 1 Skin Sens. 1

Hazard Information	Back Directory
[Uses] A metabolite of Ticlopidine
[Uses] A metabolite of Ticlopidine (T438325).

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