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Substance Name: Ferrocene, (2,3-dihydro-7-iodo-1-methyl-2-oxo-1H-1,4-benzodiazepin-5-yl)-
RN: 54906-88-6
InChIKey: AXEQSCVMXJXCOO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H17-Fe-I-N2-O

Molecular Weight

  • 484.1123
 
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Names and Synonyms

Synonyms

  • (2,3-Dihydro-7-iodo-1-methyl-2-oxo-1H-1,4-benzodiazepin-5-yl)ferrocene
  • 1,3-Dihydro-5-ferrocenyl-7-iodo-1-methyl-2H-1,4-benzodiazepin-2-one

Systematic Name

  • Ferrocene, (2,3-dihydro-7-iodo-1-methyl-2-oxo-1H-1,4-benzodiazepin-5-yl)-

Registry Numbers

CAS Registry Number

  • 54906-88-6

System Generated Number

  • 0054906886

Structure Descriptors

InChI

1S/C15H12IN2O.C5H5.Fe/c1-18-13-7-6-11(16)8-12(13)15(17-9-14(18)19)10-4-2-3-5-10;1-2-4-5-3-1;/h2-8H,9H2,1H3;1-5H;/q2*-1;+2

InChIKey

AXEQSCVMXJXCOO-UHFFFAOYSA-N

Smiles

CN1c2ccc(cc2C(=NCC1=O)[c-]3cccc3)I.[cH-]1cccc1.[Fe+2]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 900mg/kg (900mg/kg)   Journal of Medicinal Chemistry. Vol. 18, Pg. 222, 1975.
mouse LD50 oral 450mg/kg (450mg/kg)   Journal of Medicinal Chemistry. Vol. 18, Pg. 222, 1975.