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Substance Name: Ferrocene, ((2-(acetylamino)-3-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxopropyl)amino)-
RN: 68665-09-8
InChIKey: DEFGKXVRGJWAPH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H29-Cl2-Fe-N3-O2

Molecular Weight

  • 530.2741
 
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Names and Synonyms

Synonym

  • ((2-(Acetylamino)-3-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxopropyl)amino)ferrocene

Systematic Name

  • Ferrocene, ((2-(acetylamino)-3-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxopropyl)amino)-

Registry Numbers

CAS Registry Number

  • 68665-09-8

System Generated Number

  • 0068665098

Structure Descriptors

InChI

1S/C20H24Cl2N3O2.C5H5.Fe/c1-15(26)23-19(24-20(27)17-4-2-3-5-17)14-16-6-8-18(9-7-16)25(12-10-21)13-11-22;1-2-4-5-3-1;/h2-9,19H,10-14H2,1H3,(H,23,26)(H,24,27);1-5H;/q2*-1;+2

InChIKey

DEFGKXVRGJWAPH-UHFFFAOYSA-N

Smiles

CC(=O)NC(Cc1ccc(cc1)N(CCCl)CCCl)NC(=O)[c-]2cccc2.[cH-]1cccc1.[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.