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Substance Name: Acetamide, 2-(4-chlorophenoxy)-N-(3-(hexahydro-4-(phenylmethyl)-1H-1,4-diazepin-1-yl)propyl)-,dihydrochloride
RN: 87576-03-2
InChIKey: CRAXVKSTXRMMSI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H30-Cl-N3-O2.2Cl-H

Molecular Weight

  • 488.8838
 
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Names and Synonyms

  • Acetamide, 2-(4-chlorophenoxy)-N-(3-(hexahydro-4-(phenylmethyl)-1H-1,4-diazepin-1-yl)propyl)-,dihydrochloride

Registry Numbers

CAS Registry Number

  • 87576-03-2

System Generated Number

  • 0087576032

Molecular Formulas

Molecular Formula

  • C23-H30-Cl-N3-O2.2Cl-H

Molecular Formula Fragments

  • C23-H30-Cl-N3-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H30ClN3O2.2ClH/c24-21-8-10-22(11-9-21)29-19-23(28)25-12-4-13-26-14-5-15-27(17-16-26)18-20-6-2-1-3-7-20;;/h1-3,6-11H,4-5,12-19H2,(H,25,28);2*1H

InChIKey

CRAXVKSTXRMMSI-UHFFFAOYSA-N

Smiles

c1ccc(cc1)CN2CCCN(CC2)CCCNC(=O)COc3ccc(cc3)Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 220mg/kg (220mg/kg)   Acta Poloniae Pharmaceutica. For English translation, see APPFAR. Vol. 39, Pg. 361, 1982.