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Substance Name: Imidazolidine, 2,2-bis(trifluoromethyl)-, hydrate
RN: 64038-67-1
InChIKey: BGHPNBADFZVYIL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C5-H6-F6-N2.H2-O

Molecular Weight

  • 226.119
 
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Names and Synonyms

Synonym

  • 2,2-Bis(trifluoromethyl)imidazolidine monohydrate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 64038-67-1

System Generated Number

  • 0064038671

Molecular Formulas

Molecular Formula

  • C5-H6-F6-N2.H2-O

Molecular Formula Fragments

  • C5-H6-F6-N2
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C5H6F6N2.H2O/c6-4(7,8)3(5(9,10)11)12-1-2-13-3;/h12-13H,1-2H2;1H2

InChIKey

BGHPNBADFZVYIL-UHFFFAOYSA-N

Smiles

C1(C(F)(F)F)(C(F)(F)F)NCCN1.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300mg/kg (300mg/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.