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Substance Name: 1,3-Propanediamine, N'-(benz(b)acridin-12-yl)-N,N-bis(2-chloroethyl)-, dihydrochloride, hydrate
RN: 38915-57-0
InChIKey: AXMJUFDKPUQUNJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H25-Cl2-N3.2Cl-H.H2-O

Molecular Weight

  • 499.3103
 
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Names and Synonyms

Synonyms

  • 12-((3-(Bis(2-chloroethyl)amino)propyl)amino)benz(b)acridine dihydrochloride hydrate
  • Benz(b)acridine, 12-((3-(bis(2-chloroethyl)amino)propyl)amino)-, dihydrochloride, hydrate
  • ICR 417

Systematic Name

  • 1,3-Propanediamine, N'-(benz(b)acridin-12-yl)-N,N-bis(2-chloroethyl)-, dihydrochloride, hydrate

Registry Numbers

CAS Registry Number

  • 38915-57-0

System Generated Number

  • 0038915570

Molecular Formulas

Molecular Formula

  • C24-H25-Cl2-N3.2Cl-H.H2-O

Molecular Formula Fragments

  • C24-H25-Cl2-N3
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C24H25Cl2N3.2ClH/c25-10-14-29(15-11-26)13-5-12-27-24-20-8-3-4-9-22(20)28-23-17-19-7-2-1-6-18(19)16-21(23)24;;/h1-4,6-9,16-17H,5,10-15H2,(H,27,28);2*1H

InChIKey

AXMJUFDKPUQUNJ-UHFFFAOYSA-N

Smiles

c1ccc2cc3c(cc2c1)c(c4ccccc4n3)NCCCN(CCCl)CCCl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD20 intraperitoneal 621ug/kg (0.621mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 739, 1972.