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Substance Name: 1,2-Ethanediamine, N-(2-chloroethyl)-N-ethyl-N'-(4-methoxy-9-acridinyl)-, dihydrochloride, hemihydrate
RN: 77846-93-6
InChIKey: JLGIAGVTPVRXMI-UHFFFAOYSA-N

Molecular Formula

  • C20-H24-Cl-N3-O.2Cl-H.1/2H2-O

Molecular Weight

  • 879.6236
 
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Names and Synonyms

Synonyms

  • 9-((2-((2-Chloroethyl)ethylamino)ethyl)amino)-4-methoxyacridine dihydrochloride hemihydrate
  • Acridine, 9-((2-((2-chloroethyl)ethylamino)ethyl)amino)-4-methoxy-, 2HCl, hemihydrate
  • ICR 401

Systematic Name

  • 1,2-Ethanediamine, N-(2-chloroethyl)-N-ethyl-N'-(4-methoxy-9-acridinyl)-, dihydrochloride, hemihydrate

Registry Numbers

CAS Registry Number

  • 77846-93-6

System Generated Number

  • 0077846936

Molecular Formulas

Molecular Formula

  • C20-H24-Cl-N3-O.2Cl-H.1/2H2-O

Molecular Formula Fragments

  • C20-H24-Cl-N3-O
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C20H24ClN3O.4ClH.H2O/c2*1-3-24(13-11-21)14-12-22-19-15-7-4-5-9-17(15)23-20-16(19)8-6-10-18(20)25-2;;;;;/h2*4-10H,3,11-14H2,1-2H3,(H,22,23);4*1H;1H2

InChIKey

JLGIAGVTPVRXMI-UHFFFAOYSA-N

Smiles

CCN(CCNc1c2ccccc2nc3c1cccc3OC)CCCl.CCN(CCNc1c2ccccc2nc3c1cccc3OC)CCCl.O.Cl.Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD20 intraperitoneal 1532ug/kg (1.532mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 739, 1972.