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Substance Name: 1,4-Pentanediamine, N(sup 1),N(sup 1)-bis(2-chloroethyl)-N(sup 4)-(7-chloro-2-methoxybenzo(b)-1,5-naphthyridin-10-yl)-, dihydrochloride
RN: 38915-36-5
InChIKey: NMQPAWNMQGYIOY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H27-Cl3-N4-O.2Cl-H

Molecular Weight

  • 542.7631
 
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Names and Synonyms

Synonym

  • ICR 359

Systematic Name

  • 1,4-Pentanediamine, N(sup 1),N(sup 1)-bis(2-chloroethyl)-N(sup 4)-(7-chloro-2-methoxybenzo(b)-1,5-naphthyridin-10-yl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 38915-36-5

System Generated Number

  • 0038915365

Molecular Formulas

Molecular Formula

  • C22-H27-Cl3-N4-O.2Cl-H

Molecular Formula Fragments

  • C22-H27-Cl3-N4-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H27Cl3N4O.2ClH/c1-15(4-3-11-29(12-9-23)13-10-24)26-21-17-6-5-16(25)14-19(17)27-18-7-8-20(30-2)28-22(18)21;;/h5-8,14-15H,3-4,9-13H2,1-2H3,(H,26,27);2*1H

InChIKey

NMQPAWNMQGYIOY-UHFFFAOYSA-N

Smiles

CC(CCCN(CCCl)CCCl)Nc1c2ccc(cc2nc3c1nc(cc3)OC)Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD20 intraperitoneal 2443ug/kg (2.443mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 739, 1972.