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Substance Name: Ferrocene, ((3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-4-methoxy-1-(methoxycarbonyl)-4-oxobutyl)amino)-, monohydrochloride
RN: 76845-72-2
InChIKey: KZCVUUCKLAKEKI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H24-Fe-N2-O6.Cl-H

Molecular Weight

  • 540.7785
 
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Names and Synonyms

Synonym

  • Dimethyl 4-ferrocenylamino-N-phthalylglutamate hydrochloride

Systematic Name

  • Ferrocene, ((3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-4-methoxy-1-(methoxycarbonyl)-4-oxobutyl)amino)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 76845-72-2

System Generated Number

  • 0076845722

Molecular Formulas

Molecular Formula

  • C25-H24-Fe-N2-O6.Cl-H

Molecular Formula Fragments

  • C25-H24-Fe-N2-O6
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H19N2O6.C5H5.ClH.Fe/c1-27-19(25)15(21-12-7-3-4-8-12)11-16(20(26)28-2)22-17(23)13-9-5-6-10-14(13)18(22)24;1-2-4-5-3-1;;/h3-10,15-16,21H,11H2,1-2H3;1-5H;1H;/q2*-1;;+2

InChIKey

KZCVUUCKLAKEKI-UHFFFAOYSA-N

Smiles

COC(=O)C(CC(C(=O)OC)N1C(=O)c2ccccc2C1=O)N[c-]3cccc3.[cH-]1cccc1.Cl.[Fe+2]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   Pharmaceutical Chemistry Journal Vol. 14, Pg. 707, 1980.