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Substance Name: m-Isophthalotoluidide, alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-4-hydroxy-
RN: 29114-45-2
InChIKey: PBMASPAGPGDPIZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H14-F6-N2-O3

Molecular Weight

  • 468.352
 
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Names and Synonyms

Synonym

  • alpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-4-hydroxy-m-isophthalotoluidide

Systematic Name

  • m-Isophthalotoluidide, alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-4-hydroxy-

Registry Numbers

CAS Registry Number

  • 29114-45-2

System Generated Number

  • 0029114452

Structure Descriptors

InChI

1S/C22H14F6N2O3/c23-21(24,25)13-3-1-5-15(10-13)29-19(32)12-7-8-18(31)17(9-12)20(33)30-16-6-2-4-14(11-16)22(26,27)28/h1-11,31H,(H,29,32)(H,30,33)

InChIKey

PBMASPAGPGDPIZ-UHFFFAOYSA-N

Smiles

c1(cc(c(cc1)O)C(=O)Nc1cc(ccc1)C(F)(F)F)C(=O)Nc1cc(ccc1)C(F)(F)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 550mg/kg (550mg/kg)   Bollettino Chimico Farmaceutico. Vol. 108, Pg. 483, 1969.
mouse LD oral > 550mg/kg (550mg/kg)   Bollettino Chimico Farmaceutico. Vol. 108, Pg. 483, 1969.