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Substance Name: Hexadecanoic acid, 4-(bis(2-chloroethyl)amino)phenyl ester
RN: 67497-43-2
InChIKey: ASWIRJBYPSASDU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H43-Cl2-N-O2

Molecular Weight

  • 472.5367
 
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Names and Synonyms

Synonyms

  • 4-(Bis(2-chloroethyl)amino)phenyl hexadecanoate
  • BRN 2954198

Systematic Name

  • Hexadecanoic acid, 4-(bis(2-chloroethyl)amino)phenyl ester

Registry Numbers

CAS Registry Number

  • 67497-43-2

System Generated Number

  • 0067497432

Structure Descriptors

InChI

1S/C26H43Cl2NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-26(30)31-25-18-16-24(17-19-25)29(22-20-27)23-21-28/h16-19H,2-15,20-23H2,1H3

InChIKey

ASWIRJBYPSASDU-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCC(=O)Oc1ccc(cc1)N(CCCl)CCCl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 parenteral > 54mg/kg (54mg/kg)   Journal of Pharmaceutical Sciences. Vol. 71, Pg. 772, 1982.