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Substance Name: Apafant [USAN:INN]
RN: 105219-56-5
UNII: J613NI05SV
InChIKey: JGPJQFOROWSRRS-UHFFFAOYSA-N

Note

  • PAF antagonist.

Molecular Formula

  • C22-H22-Cl-N5-O2-S

Molecular Weight

  • 455.9678
 

Classification Codes

  • Cardiovascular Agents
  • Drug / Therapeutic Agent
  • Fibrin Modulating Agents
  • Fibrinolytic Agents
  • Hematologic Agents
  • Platelet Activating Factor Antagonist
  • Platelet Aggregation Inhibitors
  • Reproductive Effect
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Names and Synonyms

Name of Substance

  • Apafant [USAN:INN]
  • WEB 2086

Synonyms

  • 4-(3-(4-(o-Chlorophenyl)-9-methyl-6H-thieno(3,2-f)-s-triazolo(4,3-a)(1,4)diazepin-2-yl)propionyl)morpholine
  • Apafant
  • Apafanto
  • Apafanto [INN-Spanish]
  • Apafantum
  • Apafantum [INN-Latin]
  • BRN 4302553
  • UNII-J613NI05SV
  • WEB 2086
  • WEB 2086 BS
  • WEB 2086BS

Systematic Names

  • 4-(3-(4-(o-Chlorophenyl)-9-methyl-6H-thieno(3,2-f)-s-triazolo(4,3-a)(1,4)diazepin-2-yl)propionyl)morpholine
  • Morpholine, 4-((4-(2-chlorophenyl)-9-methyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-2-yl)-1-oxopropyl)-

Registry Numbers

CAS Registry Number

  • 105219-56-5

FDA UNII

  • J613NI05SV

System Generated Number

  • 0105219565

Structure Descriptors

InChI

1S/C22H22ClN5O2S/c1-14-25-26-19-13-24-21(16-4-2-3-5-18(16)23)17-12-15(31-22(17)28(14)19)6-7-20(29)27-8-10-30-11-9-27/h2-5,12H,6-11,13H2,1H3

InChIKey

JGPJQFOROWSRRS-UHFFFAOYSA-N

Smiles

Cc1nnc2n1-c3c(cc(s3)CCC(=O)N4CCOCC4)C(=NC2)c5ccccc5Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 400mg/kg (400mg/kg)   United States Patent Document. Vol. #4968794,
mouse LD50 oral 3gm/kg (3000mg/kg)   United States Patent Document. Vol. #4968794,