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Substance Name: 1,5-Pentanedione, 2-((bis(2-chloroethyl)amino)methyl)-1,5-diphenyl-4-methylene-, hydrochloride
RN: 90816-10-7
InChIKey: ICCXDXOEKOXFKA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H25-Cl2-N-O2.Cl-H

Molecular Weight

  • 454.8224
 
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Names and Synonyms

Synonyms

  • 2-((Bis(2-chloroethyl)amino)methyl)-1,5-diphenyl-4-methylene-1,5-pentanedione hydrochloride
  • 2-((Bis(2-chloroethyl)amino)methyl)-4-methylene-1,5-diphenyl-1,5-pentanedione hydrochloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 90816-10-7

System Generated Number

  • 0090816107

Molecular Formulas

Molecular Formula

  • C23-H25-Cl2-N-O2.Cl-H

Molecular Formula Fragments

  • C23-H25-Cl2-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H25Cl2NO2.ClH/c1-18(22(27)19-8-4-2-5-9-19)16-21(17-26(14-12-24)15-13-25)23(28)20-10-6-3-7-11-20;/h2-11,21H,1,12-17H2;1H

InChIKey

ICCXDXOEKOXFKA-UHFFFAOYSA-N

Smiles

C=C(CC(CN(CCCl)CCCl)C(=O)c1ccccc1)C(=O)c2ccccc2.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.