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Substance Name: 1,3-Propanediamine, N'-(2-butoxy-7-chlorobenzo(b)-1,5-naphthyridin-10-yl)-N,N-bis(2-chloroethyl)-, dihydrochloride, hydrate
RN: 38915-44-5
InChIKey: VUWDQMAHILTTFE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H29-Cl3-N4-O.2Cl-H.H2-O

Molecular Weight

  • 556.7899
 
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Names and Synonyms

Synonym

  • ICR 351

Systematic Name

  • 1,3-Propanediamine, N'-(2-butoxy-7-chlorobenzo(b)-1,5-naphthyridin-10-yl)-N,N-bis(2-chloroethyl)-, dihydrochloride, hydrate

Registry Numbers

CAS Registry Number

  • 38915-44-5

System Generated Number

  • 0038915445

Molecular Formulas

Molecular Formula

  • C23-H29-Cl3-N4-O.2Cl-H.H2-O

Molecular Formula Fragments

  • C23-H29-Cl3-N4-O
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C23H29Cl3N4O.2ClH/c1-2-3-15-31-21-8-7-19-23(29-21)22(18-6-5-17(26)16-20(18)28-19)27-11-4-12-30(13-9-24)14-10-25;;/h5-8,16H,2-4,9-15H2,1H3,(H,27,28);2*1H

InChIKey

VUWDQMAHILTTFE-UHFFFAOYSA-N

Smiles

CCCCOc1ccc2c(n1)c(c3ccc(cc3n2)Cl)NCCCN(CCCl)CCCl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD20 intraperitoneal 11497ug/kg (11.497mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 739, 1972.