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Substance Name: 1,5-Pentanedione, 2-((bis(2-chloroethyl)amino)methyl)-1,5-bis(p-(pentyloxy)phenyl)-4-methylene-, hydrochloride
RN: 101684-65-5
InChIKey: ZQCZCVAYWWXMNQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C33-H45-Cl2-N-O4.Cl-H

Molecular Weight

  • 627.0884
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 101684-65-5

System Generated Number

  • 0101684655

Molecular Formulas

Molecular Formula

  • C33-H45-Cl2-N-O4.Cl-H

Molecular Formula Fragments

  • C33-H45-Cl2-N-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C33H45Cl2NO4.ClH/c1-4-6-8-22-39-30-14-10-27(11-15-30)32(37)26(3)24-29(25-36(20-18-34)21-19-35)33(38)28-12-16-31(17-13-28)40-23-9-7-5-2;/h10-17,29H,3-9,18-25H2,1-2H3;1H

InChIKey

ZQCZCVAYWWXMNQ-UHFFFAOYSA-N

Smiles

CCCCCOc1ccc(cc1)C(=O)C(CC(=C)C(=O)c2ccc(cc2)OCCCCC)CN(CCCl)CCCl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 1100mg/kg (1100mg/kg)   Pharmaceutical Chemistry Journal Vol. 19, Pg. 448, 1985.