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Substance Name: 1,5-Pentanedione, 2-((bis(2-chloroethyl)amino)methyl)-1,5-bis(p-propoxyphenyl)-4-methylene-, hydrochloride
RN: 101684-62-2
InChIKey: NOQGAIBMTSSISC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H37-Cl2-N-O4.Cl-H

Molecular Weight

  • 570.9812
 
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Names and Synonyms

Synonym

  • 2-((Bis(2-chloroethyl)amino)methyl)-4-methylene-1,5-bis(4-propoxyphenyl)-1,5-pentanedione HCl

Systematic Name

  • 1,5-Pentanedione, 2-((bis(2-chloroethyl)amino)methyl)-1,5-bis(p-propoxyphenyl)-4-methylene-, hydrochloride

Registry Numbers

CAS Registry Number

  • 101684-62-2

System Generated Number

  • 0101684622

Molecular Formulas

Molecular Formula

  • C29-H37-Cl2-N-O4.Cl-H

Molecular Formula Fragments

  • C29-H37-Cl2-N-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C29H37Cl2NO4.ClH/c1-4-18-35-26-10-6-23(7-11-26)28(33)22(3)20-25(21-32(16-14-30)17-15-31)29(34)24-8-12-27(13-9-24)36-19-5-2;/h6-13,25H,3-5,14-21H2,1-2H3;1H

InChIKey

NOQGAIBMTSSISC-UHFFFAOYSA-N

Smiles

CCCOc1ccc(cc1)C(=O)C(CC(=C)C(=O)c2ccc(cc2)OCCC)CN(CCCl)CCCl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 400mg/kg (400mg/kg)   Pharmaceutical Chemistry Journal Vol. 19, Pg. 448, 1985.