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Substance Name: Hexadecanoic acid, (4-(bis(2-chloroethyl)amino)phenyl)methyl ester
RN: 67497-45-4
InChIKey: JXPKXPJZQQEFPS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H45-Cl2-N-O2

Molecular Weight

  • 486.5635
 
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Names and Synonyms

Synonym

  • (4-(Bis(2-chloroethyl)amino)phenyl)methyl hexadecanoate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 67497-45-4

System Generated Number

  • 0067497454

Structure Descriptors

InChI

1S/C27H45Cl2NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-27(31)32-24-25-16-18-26(19-17-25)30(22-20-28)23-21-29/h16-19H,2-15,20-24H2,1H3

InChIKey

JXPKXPJZQQEFPS-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCC(=O)OCc1ccc(cc1)N(CCCl)CCCl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD subcutaneous > 2gm/kg (2000mg/kg)   Pharmaceutical Chemistry Journal Vol. 12, Pg. 751, 1978.