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Substance Name: 1,5-Pentanedione, 2-((bis(2-chloroethyl)amino)methyl)-1,5-bis(4-(2-methylpropoxy)phenyl)-4-methylene-, hydrochloride
RN: 101684-64-4
InChIKey: NDVILLBFOKVECB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H41-Cl2-N-O4.Cl-H

Molecular Weight

  • 599.0348
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 101684-64-4

System Generated Number

  • 0101684644

Molecular Formulas

Molecular Formula

  • C31-H41-Cl2-N-O4.Cl-H

Molecular Formula Fragments

  • C31-H41-Cl2-N-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C31H41Cl2NO4.ClH/c1-22(2)20-37-28-10-6-25(7-11-28)30(35)24(5)18-27(19-34(16-14-32)17-15-33)31(36)26-8-12-29(13-9-26)38-21-23(3)4;/h6-13,22-23,27H,5,14-21H2,1-4H3;1H

InChIKey

NDVILLBFOKVECB-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 150mg/kg (150mg/kg)   Pharmaceutical Chemistry Journal Vol. 19, Pg. 448, 1985.