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Substance Name: WY-5244
RN: 13822-05-4
UNII: 576L22D18T
InChIKey: YSEKTJDZLUWDBU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H17-Cl-N2.2Cl-H

Molecular Weight

  • 345.699
 
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Names and Synonyms

Name of Substance

  • WY-5244

Synonyms

  • 1-(p-Chlorophenyl)-1,2,3,4,5,6-hexahydro-2,5-benzodiazocine dihydrochloride
  • UNII-576L22D18T
  • WY 5244

Systematic Names

  • 2,5-Benzodiazocine, 1-(4-chlorophenyl)-1,2,3,4,5,6-hexahydro-, dihydrochloride (9CI)
  • 2,5-Benzodiazocine, 1-(p-chlorophenyl)-1,2,3,4,5,6-hexahydro-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 13822-05-4

FDA UNII

  • 576L22D18T

System Generated Number

  • 0013822054

Molecular Formulas

Molecular Formula

  • C16-H17-Cl-N2.2Cl-H

Molecular Formula Fragments

  • C16-H17-Cl-N2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H17ClN2.2ClH/c17-14-7-5-12(6-8-14)16-15-4-2-1-3-13(15)11-18-9-10-19-16;;/h1-8,16,18-19H,9-11H2;2*1H

InChIKey

YSEKTJDZLUWDBU-UHFFFAOYSA-N

Smiles

c12[C@@H](c3ccc(Cl)cc3)[NH2+]CC[NH2+]Cc1cccc2.[ClH-].[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 100mg/kg (100mg/kg)   Toxicology and Applied Pharmacology. Vol. 21, Pg. 315, 1972.
mouse LD50 oral 169mg/kg (169mg/kg)   Toxicology and Applied Pharmacology. Vol. 18, Pg. 185, 1971.
rat LD50 oral 101mg/kg (101mg/kg)   Toxicology and Applied Pharmacology. Vol. 18, Pg. 185, 1971.