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Substance Name: 1,3-Propanediamine, N,N-bis(2-chloroethyl)-N'-(6-chloro-2-phenyl-9-acridinyl)-, dihydrochloride, hemihydrate
RN: 78219-72-4
InChIKey: AJLDRWVEIOPDKK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H26-Cl3-N3.2Cl-H.1/2H2-O

Molecular Weight

  • 1137.6012
 
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Names and Synonyms

Synonyms

  • 9-((3-(Bis(2-chloroethyl)amino)propyl)amino)-6-chloro-2-phenylacridine 2HCl hemihydrate
  • ICR 470

Systematic Name

  • 1,3-Propanediamine, N,N-bis(2-chloroethyl)-N'-(6-chloro-2-phenyl-9-acridinyl)-, dihydrochloride, hemihydrate

Registry Numbers

CAS Registry Number

  • 78219-72-4

System Generated Number

  • 0078219724

Molecular Formulas

Molecular Formula

  • C26-H26-Cl3-N3.2Cl-H.1/2H2-O

Molecular Formula Fragments

  • C26-H26-Cl3-N3
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C26H26Cl3N3.4ClH.H2O/c2*27-11-15-32(16-12-28)14-4-13-30-26-22-9-8-21(29)18-25(22)31-24-10-7-20(17-23(24)26)19-5-2-1-3-6-19;;;;;/h2*1-3,5-10,17-18H,4,11-16H2,(H,30,31);4*1H;1H2

InChIKey

AJLDRWVEIOPDKK-UHFFFAOYSA-N

Smiles

c1ccc(cc1)c2ccc3c(c2)c(c4ccc(cc4n3)Cl)NCCCN(CCCl)CCCl.c1ccc(cc1)c2ccc3c(c2)c(c4ccc(cc4n3)Cl)NCCCN(CCCl)CCCl.O.Cl.Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD20 intraperitoneal 11377ug/kg (11.377mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 739, 1972.