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Substance Name: 1,3-Propanediamine, N-(2-chloroethyl)-N-ethyl-N'-(1,2,3,4-tetrahydro-9-acridinyl)-, dihydrochloride, hemihydrate
RN: 78218-20-9
InChIKey: XRULTAMYNZYOGM-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C20-H28-Cl-N3.2Cl-H.1/2H2-O

Molecular Weight

  • 855.6888
 
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Names and Synonyms

Synonyms

  • 1,2,3,4-Tetrahydro-9-((3-((2-chloroethyl)ethylamino)propyl)amino)acridine 2HCl hemihydrate
  • ICR 360

Systematic Name

  • 1,3-Propanediamine, N-(2-chloroethyl)-N-ethyl-N'-(1,2,3,4-tetrahydro-9-acridinyl)-, dihydrochloride, hemihydrate

Registry Numbers

CAS Registry Number

  • 78218-20-9

System Generated Number

  • 0078218209

Molecular Formulas

Molecular Formula

  • C20-H28-Cl-N3.2Cl-H.1/2H2-O

Molecular Formula Fragments

  • C20-H28-Cl-N3
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C20H28ClN3.4ClH.H2O/c2*1-2-24(15-12-21)14-7-13-22-20-16-8-3-5-10-18(16)23-19-11-6-4-9-17(19)20;;;;;/h2*3,5,8,10H,2,4,6-7,9,11-15H2,1H3,(H,22,23);4*1H;1H2

InChIKey

XRULTAMYNZYOGM-UHFFFAOYSA-N

Smiles

CCN(CCCNc1c2ccccc2nc3c1CCCC3)CCCl.CCN(CCCNc1c2ccccc2nc3c1CCCC3)CCCl.O.Cl.Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD20 intraperitoneal 6418ug/kg (6.418mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 739, 1972.