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Substance Name: Ferrocene, (((4-(bis(2-chloroethyl)amino)phenyl)methyl)amino)-
RN: 68665-12-3
InChIKey: WFKQTLCWYCJSAV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H24-Cl2-Fe-N2

Molecular Weight

  • 431.1856
 
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Names and Synonyms

Synonyms

  • (((4-(Bis(2-chloroethyl)amino)phenyl)methyl)amino)ferrocene
  • p-(Di(2-chloroethyl)amino)benzylferrocenylamine

Systematic Name

  • Ferrocene, (((4-(bis(2-chloroethyl)amino)phenyl)methyl)amino)-

Registry Numbers

CAS Registry Number

  • 68665-12-3

System Generated Number

  • 0068665123

Structure Descriptors

InChI

1S/C16H19Cl2N2.C5H5.Fe/c17-9-11-20(12-10-18)16-7-5-14(6-8-16)13-19-15-3-1-2-4-15;1-2-4-5-3-1;/h1-8,19H,9-13H2;1-5H;/q2*-1;+2

InChIKey

WFKQTLCWYCJSAV-UHFFFAOYSA-N

Smiles

[cH-]1cccc1.c1cc[c-](c1)NCc2ccc(cc2)N(CCCl)CCCl.[Fe+2]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 40mg/kg (40mg/kg)   Pharmaceutical Chemistry Journal Vol. 12, Pg. 1317, 1978.