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Substance Name: 1,3-Propanediamine, N,N-bis(2-chloroethyl)-N'-(1,2,3,4-tetrahydro-9-acridinyl)-, dihydrochloride, hemihydrate
RN: 78219-76-8
InChIKey: ZQQROVLRJWPQAK-UHFFFAOYSA-N

Molecular Formula

  • C20-H27-Cl2-N3.2Cl-H.1/2H2-O

Molecular Weight

  • 924.579
 
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Names and Synonyms

Synonyms

  • 1,2,3,4-Tetrahydro-9-((3-(bis(2-chloroethyl)amino)propyl)amino)acridine 2HCl hemihydrate
  • ICR 262

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 78219-76-8

System Generated Number

  • 0078219768

Molecular Formulas

Molecular Formula

  • C20-H27-Cl2-N3.2Cl-H.1/2H2-O

Molecular Formula Fragments

  • C20-H27-Cl2-N3
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C20H27Cl2N3.4ClH.H2O/c2*21-10-14-25(15-11-22)13-5-12-23-20-16-6-1-3-8-18(16)24-19-9-4-2-7-17(19)20;;;;;/h2*1,3,6,8H,2,4-5,7,9-15H2,(H,23,24);4*1H;1H2

InChIKey

ZQQROVLRJWPQAK-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCN(CCCl)CCCl.c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCN(CCCl)CCCl.O.Cl.Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD20 intraperitoneal 2774ug/kg (2.774mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 739, 1972.