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Substance Name: Ferrocene, (((4-(bis(2-chloroethyl)amino)phenyl)acetyl)amino)-
RN: 68665-10-1
InChIKey: BTGYYWWGEUMBTK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H24-Cl2-Fe-N2-O

Molecular Weight

  • 459.1956
 
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Names and Synonyms

Synonym

  • (((4-(Bis(2-chloroethyl)amino)phenyl)acetyl)amino)ferrocene

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 68665-10-1

System Generated Number

  • 0068665101

Structure Descriptors

InChI

1S/C17H19Cl2N2O.C5H5.Fe/c18-9-11-21(12-10-19)16-7-5-14(6-8-16)13-17(22)20-15-3-1-2-4-15;1-2-4-5-3-1;/h1-8H,9-13H2,(H,20,22);1-5H;/q2*-1;+2

InChIKey

BTGYYWWGEUMBTK-UHFFFAOYSA-N

Smiles

[cH-]1cccc1.c1cc[c-](c1)NC(=O)Cc2ccc(cc2)N(CCCl)CCCl.[Fe+2]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1500mg/kg (1500mg/kg)   Pharmaceutical Chemistry Journal Vol. 12, Pg. 1317, 1978.
mouse LD50 oral > 1500mg/kg (1500mg/kg)   Pharmaceutical Chemistry Journal Vol. 12, Pg. 1317, 1978.