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Substance Name: 1,3-Propanediamine, N,N-bis(2-chloroethyl)-N'-(2-methoxy-9-acridinyl)-, dihydrochloride, hemihydrate
RN: 78232-12-9
InChIKey: LSHHPDOLFFEEDU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H25-Cl2-N3-O.2Cl-H.1/2H2-O

Molecular Weight

  • 976.5674
 
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Names and Synonyms

Synonyms

  • 9-((3-(Bis(2-chloroethyl)amino)propyl)amino)-2-methoxyacridine dihydrochloride hemihydrate
  • Acridine, 9-((3-(bis(2-chloroethyl)amino)propyl)amino)-2-methoxy-, 2HCl hemihydrate
  • ICR 230

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 78232-12-9

System Generated Number

  • 0078232129

Molecular Formulas

Molecular Formula

  • C21-H25-Cl2-N3-O.2Cl-H.1/2H2-O

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/2C21H25Cl2N3O.4ClH.H2O/c2*1-27-16-7-8-20-18(15-16)21(17-5-2-3-6-19(17)25-20)24-11-4-12-26(13-9-22)14-10-23;;;;;/h2*2-3,5-8,15H,4,9-14H2,1H3,(H,24,25);4*1H;1H2

InChIKey

LSHHPDOLFFEEDU-UHFFFAOYSA-N

Smiles

COc1ccc2c(c1)c(c3ccccc3n2)NCCCN(CCCl)CCCl.COc1ccc2c(c1)c(c3ccccc3n2)NCCCN(CCCl)CCCl.O.Cl.Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD20 intraperitoneal 4518ug/kg (4.518mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 739, 1972.