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Substance Name: Diciferron [INN]
RN: 65606-61-3
UNII: S02C32I351
InChIKey: HZKHALORFZMFOZ-UHFFFAOYSA-N

Molecular Formula

  • C19-H26-Fe-O

Molecular Weight

  • 326.258
 
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Names and Synonyms

Name of Substance

  • Diciferron [INN]

Synonyms

  • (3,5,5-Trimethyl-1-oxohexyl)ferrocene
  • 3,5,5-Trimethylhexanoyl ferrocene
  • Diciferron
  • Diciferronum
  • Diciferronum [INN-Latin]
  • UNII-S02C32I351

Systematic Names

  • (3,5,5-Trimethylhexanoyl)ferrocene
  • Ferrocene, (3,5,5-trimethyl-1-oxohexyl)-

Registry Numbers

CAS Registry Number

  • 65606-61-3

FDA UNII

  • S02C32I351

System Generated Number

  • 0065606613

Structure Descriptors

InChI

1S/C14H21O.C5H5.Fe/c1-11(10-14(2,3)4)9-13(15)12-7-5-6-8-12;1-2-4-5-3-1;/h5-8,11H,9-10H2,1-4H3;1-5H;/q2*-1;+2

InChIKey

HZKHALORFZMFOZ-UHFFFAOYSA-N

Smiles

C=1C=C[C-](C(C[C@@H](CC(C)(C)C)C)=O)C1.C=1C=C[CH-]C1.[Fe+2]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 2950mg/kg (2950mg/kg)   United States Patent Document. Vol. #4118509,
rat LDLo oral 8260mg/kg (8260mg/kg)   United States Patent Document. Vol. #4118509,