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Substance Name: 1,3-Propanediamine, N-(2-chloroethyl)-N'-(4-methoxy-9-acridinyl)-, dihydrochloride, hemihydrate
RN: 78218-22-1
InChIKey: YZJIDVXSSALGBU-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C19-H22-Cl-N3-O.2Cl-H.1/2H2-O

Molecular Weight

  • 851.57
 
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Names and Synonyms

Synonyms

  • 9-((3-((2-Chloroethyl)amino)propyl)amino)-4-methoxyacridine dihydrochloride hemihydrate
  • Acridine, 9-((3-((2-chloroethyl)amino)propyl)amino)-4-methoxy-, dihydrochloride, hemihydrate
  • ICR 391 dihydrochloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 78218-22-1

System Generated Number

  • 0078218221

Molecular Formulas

Molecular Formula

  • C19-H22-Cl-N3-O.2Cl-H.1/2H2-O

Molecular Formula Fragments

  • C19-H22-Cl-N3-O
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C19H22ClN3O.4ClH.H2O/c2*1-24-17-9-4-7-15-18(22-12-5-11-21-13-10-20)14-6-2-3-8-16(14)23-19(15)17;;;;;/h2*2-4,6-9,21H,5,10-13H2,1H3,(H,22,23);4*1H;1H2

InChIKey

YZJIDVXSSALGBU-UHFFFAOYSA-N

Smiles

COc1cccc2c1nc3ccccc3c2NCCCNCCCl.COc1cccc2c1nc3ccccc3c2NCCCNCCCl.O.Cl.Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD20 intraperitoneal 17mg/kg (17mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 739, 1972.