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Substance Name: 1,3-Propanediamine, N-(2-chloroethyl)-N-ethyl-N'-(4-methoxy-9-acridinyl)-, dihydrochloride, hemihydrate
RN: 78218-16-3
InChIKey: UDVUUOGBVLAWAR-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C21-H26-Cl-N3-O.2Cl-H.1/2H2-O

Molecular Weight

  • 907.6772
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 78218-16-3

System Generated Number

  • 0078218163

Molecular Formulas

Molecular Formula

  • C21-H26-Cl-N3-O.2Cl-H.1/2H2-O

Molecular Formula Fragments

  • C21-H26-Cl-N3-O
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C21H26ClN3O.4ClH.H2O/c2*1-3-25(15-12-22)14-7-13-23-20-16-8-4-5-10-18(16)24-21-17(20)9-6-11-19(21)26-2;;;;;/h2*4-6,8-11H,3,7,12-15H2,1-2H3,(H,23,24);4*1H;1H2

InChIKey

UDVUUOGBVLAWAR-UHFFFAOYSA-N

Smiles

CCN(CCCNc1c2ccccc2nc3c1cccc3OC)CCCl.CCN(CCCNc1c2ccccc2nc3c1cccc3OC)CCCl.O.Cl.Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD20 intraperitoneal 1362ug/kg (1.362mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 739, 1972.