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Structure

2-Oxo ticlopidine

CAS
83427-51-4
Catalog Number
ACM83427514
Category
Other Products
Molecular Weight
279.79
Molecular Formula
C14H14ClNOS

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Specification

Synonyms
5-[(2-Chlorophenyl)methyl]-5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one; PCR 3787;
IUPAC Name
5-[(2-chlorophenyl)methyl]-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one
Canonical SMILES
C1CN(CC2=CC(=O)SC21)CC3=CC=CC=C3Cl
InChI Key
DJZQIXWGIZIETJ-UHFFFAOYSA-N
Boiling Point
437.8ºC at 760 mmHg
Melting Point
162-164ºC
Flash Point
218.6ºC
Density
1.35g/cm³
Appearance
Pale Yellow Solid
Exact Mass
279.04800
H-Bond Acceptor
2
H-Bond Donor
0

Upstream Synthesis Route 1

  • 55142-85-3
  • 688-74-4
  • 83427-51-4

Reference: [1]Patent: US5190938,1993,A

Upstream Synthesis Route 2

  • 55142-85-3
  • 83427-51-4

Reference: [1]Drug Metabolism and Disposition,2014,vol. 42,p. 141 - 152

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