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Substance Name: 1,3-Propanediamine, N,N-bis(2-chloroethyl)-N'-(4-methoxy-9-acridinyl)-, dihydrochloride, hydrate
RN: 38915-16-1
InChIKey: GCGDKWLWMYGKAW-UHFFFAOYSA-N

Molecular Formula

  • C21-H25-Cl2-N3-O.2Cl-H.H2-O

Molecular Weight

  • 479.2763
 
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Names and Synonyms

Synonyms

  • 9-((3-(Bis(2-chloroethyl)amino)propyl)amino)-4-methoxyacridine dihydrochloride hydrate
  • Acridine, 9-((3-(bis(2-chloroethyl)amino)propyl)amino)-4-methoxy-, dihydrochloride hydrate
  • ICR 375

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 38915-16-1

System Generated Number

  • 0038915161

Molecular Formulas

Molecular Formula

  • C21-H25-Cl2-N3-O.2Cl-H.H2-O

Molecular Formula Fragments

  • C21-H25-Cl2-N3-O
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C21H25Cl2N3O.2ClH/c1-27-19-9-4-7-17-20(16-6-2-3-8-18(16)25-21(17)19)24-12-5-13-26(14-10-22)15-11-23;;/h2-4,6-9H,5,10-15H2,1H3,(H,24,25);2*1H

InChIKey

GCGDKWLWMYGKAW-UHFFFAOYSA-N

Smiles

COc1cccc2c1nc3ccccc3c2NCCCN(CCCl)CCCl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD20 intraperitoneal 398ug/kg (0.398mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 739, 1972.