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Substance Name: 1,4-Pentanediamine, N(sup 4)-(2-butoxy-7-chlorobenzo(b)-1,5-naphthyridin-10-yl)-N(sup 1),N(sup 1)-bis(2-chloroethyl)-, dihydrochloride
RN: 38915-45-6
InChIKey: RPYIDXCHRLHNQT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H33-Cl3-N4-O.2Cl-H

Molecular Weight

  • 584.8435
 
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Names and Synonyms

Synonym

  • ICR 386

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 38915-45-6

System Generated Number

  • 0038915456

Molecular Formulas

Molecular Formula

  • C25-H33-Cl3-N4-O.2Cl-H

Molecular Formula Fragments

  • C25-H33-Cl3-N4-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C25H33Cl3N4O.2ClH/c1-3-4-16-33-23-10-9-21-25(31-23)24(20-8-7-19(28)17-22(20)30-21)29-18(2)6-5-13-32(14-11-26)15-12-27;;/h7-10,17-18H,3-6,11-16H2,1-2H3,(H,29,30);2*1H

InChIKey

RPYIDXCHRLHNQT-UHFFFAOYSA-N

Smiles

CCCCOc1ccc2c(n1)c(c3ccc(cc3n2)Cl)NC(C)CCCN(CCCl)CCCl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD20 intraperitoneal 11698ug/kg (11.698mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 739, 1972.