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Substance Name: 2-Propanol, 1-(2-propynyloxy)-3-(alpha,alpha,alpha-trifluoro-m-toluidino)-
RN: 23452-72-4
InChIKey: GVVXJBCMTLKOEO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H14-F3-N-O2

Molecular Weight

  • 273.253
 
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Names and Synonyms

Synonyms

  • 1-(2-Propynyloxy)-3-(alpha,alpha,alpha-trifluoro-m-toluidino)-2-propanol
  • 6794 MD
  • BRN 2138913

Systematic Name

  • 2-Propanol, 1-(2-propynyloxy)-3-(alpha,alpha,alpha-trifluoro-m-toluidino)-

Registry Numbers

CAS Registry Number

  • 23452-72-4

System Generated Number

  • 0023452724

Structure Descriptors

InChI

1S/C13H14F3NO2/c1-2-6-19-9-12(18)8-17-11-5-3-4-10(7-11)13(14,15)16/h1,3-5,7,12,17-18H,6,8-9H2

InChIKey

GVVXJBCMTLKOEO-UHFFFAOYSA-N

Smiles

C([C@@H](CNc1cc(ccc1)C(F)(F)F)O)OCC#C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 910mg/kg (910mg/kg)   Proceedings of the European Society for the Study of Drug Toxicity. Vol. 11, Pg. 212, 1970.