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Ticlopidine-[d4]

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General Information
Catalog: BLP-012619
CAS: 1246817-49-1
Molecular Formula: C14H10D4ClNS
Molecular Weight: 267.81

Chemical Structure

Description	Ticlopidine-[d4] is the labelled analogue of Ticlopidine, which was first shown to decrease major events compared with placebo or aspirin in patients with stroke or recent transient ischemic attack.
Synonyms	Ticlopidine D4; 5-[(2-Chlorophenyl)methyl]-4,5,6,7-tetrahydro-thieno[3,2-c]pyridine-d4
IUPAC Name	5-[(2-chloro-3,4,5,6-tetradeuteriophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
Related CAS	55142-85-3 (free base) 53885-35-1 (hydrochloride salt) 55142-85-3 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1[2H])CN2CCC3=C(C2)C=CS3)Cl)[2H])[2H]
Canonical SMILES	C1CN(CC2=C1SC=C2)CC3=CC=CC=C3Cl
InChI	InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2/i1D,2D,3D,4D
InChI Key	PHWBOXQYWZNQIN-RHQRLBAQSA-N
Boiling Point	367.3±37.0 °C at 760 mmHg
Purity	95% by HPLC; 95% atom D
Density	1.3±0.1 g/cm3