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Substance Name: 1-Piperazinemethanol, alpha,alpha-bis(trifluoromethyl)-, hydrate
RN: 30192-64-4
InChIKey: GWSZWUDXBUODAW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H10-F6-N2-O.H2-O

Molecular Weight

  • 270.172
 
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Names and Synonyms

Synonyms

  • 1-(1-Piperazinyl)-2,2,2-trifluoro-1-(trifluoromethyl)ethanol hydrate
  • alpha,alpha-Bis(trifluoromethyl)-1-piperazinemethanol hydrate
  • Ethanol, 1-(1-piperazinyl)-2,2,2-trifluoro-1-(trifluoromethyl)-, hydrate

Systematic Name

  • 1-Piperazinemethanol, alpha,alpha-bis(trifluoromethyl)-, hydrate

Registry Numbers

CAS Registry Number

  • 30192-64-4

System Generated Number

  • 0030192644

Molecular Formulas

Molecular Formula

  • C7-H10-F6-N2-O.H2-O

Molecular Formula Fragments

  • C7-H10-F6-N2-O
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C7H10F6N2O.H2O/c8-6(9,10)5(16,7(11,12)13)15-3-1-14-2-4-15;/h14,16H,1-4H2;1H2

InChIKey

GWSZWUDXBUODAW-UHFFFAOYSA-N

Smiles

C(N1CCNCC1)(O)(C(F)(F)F)C(F)(F)F.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.