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Substance Name: 1,5-Pentanedione, 2-((bis(2-chloroethyl)amino)methyl)-1,5-bis(p-methoxyphenyl)-4-methylene-, hydrochloride
RN: 101684-60-0
InChIKey: XQOMQGBZYMSOKY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H29-Cl2-N-O4.Cl-H

Molecular Weight

  • 514.874
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 101684-60-0

System Generated Number

  • 0101684600

Molecular Formulas

Molecular Formula

  • C25-H29-Cl2-N-O4.Cl-H

Molecular Formula Fragments

  • C25-H29-Cl2-N-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C25H29Cl2NO4.ClH/c1-18(24(29)19-4-8-22(31-2)9-5-19)16-21(17-28(14-12-26)15-13-27)25(30)20-6-10-23(32-3)11-7-20;/h4-11,21H,1,12-17H2,2-3H3;1H

InChIKey

XQOMQGBZYMSOKY-UHFFFAOYSA-N

Smiles

COc1ccc(cc1)C(=O)C(CC(=C)C(=O)c2ccc(cc2)OC)CN(CCCl)CCCl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 1500mg/kg (1500mg/kg)   Pharmaceutical Chemistry Journal Vol. 19, Pg. 448, 1985.