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Substance Name: Imidazolidine, 2,2-bis(trifluoromethyl)-4-methyl-, hydrate
RN: 64038-68-2
InChIKey: KBLOTQMFQLJJPR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C6-H8-F6-N2.H2-O

Molecular Weight

  • 240.146
 
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Names and Synonyms

Synonym

  • 2,2-Bis(trifluoromethyl)-4-methylimidazolidine hydrate

Systematic Name

  • Imidazolidine, 2,2-bis(trifluoromethyl)-4-methyl-, hydrate

Registry Numbers

CAS Registry Number

  • 64038-68-2

System Generated Number

  • 0064038682

Molecular Formulas

Molecular Formula

  • C6-H8-F6-N2.H2-O

Molecular Formula Fragments

  • C6-H8-F6-N2
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C6H8F6N2.H2O/c1-3-2-13-4(14-3,5(7,8)9)6(10,11)12;/h3,13-14H,2H2,1H3;1H2

InChIKey

KBLOTQMFQLJJPR-UHFFFAOYSA-N

Smiles

C1(C(F)(F)F)(C(F)(F)F)NC[C@@H](N1)C.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 260mg/kg (260mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 1215, 1970.
mouse LD50 oral 300mg/kg (300mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 1215, 1970.