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Substance Name: Iron, bis(3-((phenylamino)methyl)-2(3H)-benzoxazolone-N(sup N(sup 3),O(sup 2))bis(thiocyanato-N))-
RN: 82489-95-0
InChIKey: IZVVILDHFAQSNX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H24-Fe-N6-O4-S2

Molecular Weight

  • 652.5346
 
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Names and Synonyms

  • Iron, bis(3-((phenylamino)methyl)-2(3H)-benzoxazolone-N(sup N(sup 3),O(sup 2))bis(thiocyanato-N))-

Registry Numbers

CAS Registry Number

  • 82489-95-0

System Generated Number

  • 0082489950

Structure Descriptors

InChI

1S/2C14H12N2O2.2CNS.Fe/c2*17-14-16(10-15-11-6-2-1-3-7-11)12-8-4-5-9-13(12)18-14;2*2-1-3;/h2*1-9,15H,10H2;;;/q;;2*-1;+2

InChIKey

IZVVILDHFAQSNX-UHFFFAOYSA-N

Smiles

c1ccc(cc1)NCn2c3ccccc3oc2=O.c1ccc(cc1)NCn2c3ccccc3oc2=O.C(=[N-])=S.C(=[N-])=S.[Fe+2]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 681mg/kg (681mg/kg)   Journal of the Indian Chemical Society. Vol. 59, Pg. 343, 1982.