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Substance Name: Pcr 3787
RN: 83427-51-4
InChIKey: DJZQIXWGIZIETJ-UHFFFAOYSA-N

Note

  • Ticlopidine metabolite.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H14-Cl-N-O-S

Molecular Weight

  • 279.79
 
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Names and Synonyms

Name of Substance

  • Pcr 3787

Synonyms

  • 4,5,6,7-Tetrahydro-5-((2-chlorophenyl)methyl)thieno(3,2-c)pyridin-2(7aH)-one
  • 5-(o-Chlorobenzyl)-5,6,7,7a-tetrahydro-4H-thieno(3,2-c)pyridin-2-one
  • o-Chlorobenzyl-5 tetrahydro-5,6,7,7a 4H-thieno(3,2-c)pyridinone-2
  • o-Chlorobenzyl-5 tetrahydro-5,6,7,7a 4H-thieno(3,2-c)pyridinone-2 [French]
  • Thieno(3,2-c)pyridin-2(4H)-one, 5,6,7,7a-tetrahydro-5-((2-chlorophenyl)methyl)-

Systematic Names

  • Thieno(3,2-c)pyridin-2(4H)-one, 5-((2-chlorophenyl)methyl)-5,6,7,7a-tetrahydro-
  • Thieno(3,2-c)pyridin-2(7aH)-one, 4,5,6,7-tetrahydro-5-((2-chlorophenyl)methyl)-

Registry Numbers

CAS Registry Number

  • 83427-51-4

Other Registry Number

  • 94188-83-7

System Generated Number

  • 0083427514

Structure Descriptors

InChI

1S/C14H14ClNOS/c15-12-4-2-1-3-10(12)8-16-6-5-13-11(9-16)7-14(17)18-13/h1-4,7,13H,5-6,8-9H2

InChIKey

DJZQIXWGIZIETJ-UHFFFAOYSA-N

Smiles

C1C=2[C@@H](CC[N@@]1Cc1c(cccc1)Cl)SC(C2)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 113mg/kg (113mg/kg)   European Patent Application. Vol. #0054442,