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Substance Name: 1,3-Propanediamine, N-9-acridinyl-N'-(2-chloroethyl)-, dihydrochloride, hydrate
RN: 38914-96-4
InChIKey: SZYRIFPVSIVBGN-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C18-H20-Cl-N3.2Cl-H.H2-O

Molecular Weight

  • 404.767
 
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Names and Synonyms

Synonyms

  • 9-((3-((2-Chloroethyl)amino)propyl)amino)acridine dihydrochloride hydrate
  • Acridine, 9-((3-((2-chloroethyl)amino)propyl)amino)-, dihydrochloride, hydrate
  • CCRIS 7014
  • ICR 445
  • ICR 449

Systematic Names

  • 1,3-Propanediamine, N-9-acridinyl-N'-(2-chloroethyl)-, dihydrochloride, hydrate
  • ICR 449

Registry Numbers

CAS Registry Number

  • 38914-96-4

System Generated Number

  • 0038914964

Molecular Formulas

Molecular Formula

  • C18-H20-Cl-N3.2Cl-H.H2-O

Molecular Formula Fragments

  • C18-H20-Cl-N3
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C18H20ClN3.2ClH.H2O/c19-10-13-20-11-5-12-21-18-14-6-1-3-8-16(14)22-17-9-4-2-7-15(17)18;;;/h1-4,6-9,20H,5,10-13H2,(H,21,22);2*1H;1H2

InChIKey

SZYRIFPVSIVBGN-UHFFFAOYSA-N

Smiles

C(Nc1c2ccccc2nc2ccccc12)CCNCCCl.O.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD20 intraperitoneal 49mg/kg (49mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 739, 1972.