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Substance Name: Oxazolidine, 5-benzyl-2,2-bis(trifluoromethyl)-4-methyl-, hydrate
RN: 101834-51-9
InChIKey: JIYSFOLVTTWLAP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H11-F6-N-O.H2-O

Molecular Weight

  • 313.2397
 
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Names and Synonyms

Synonym

  • 5-Benzyl-2,2-bis(trifluoromethyl)-4-methyloxazolidine hydrate

Systematic Name

  • Oxazolidine, 5-benzyl-2,2-bis(trifluoromethyl)-4-methyl-, hydrate

Registry Numbers

CAS Registry Number

  • 101834-51-9

System Generated Number

  • 0101834519

Molecular Formulas

Molecular Formula

  • C12-H11-F6-N-O.H2-O

Molecular Formula Fragments

  • C12-H11-F6-N-O
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C13H13F6NO/c1-8-10(7-9-5-3-2-4-6-9)21-11(20-8,12(14,15)16)13(17,18)19/h2-6,8,10,20H,7H2,1H3

InChIKey

JIYSFOLVTTWLAP-UHFFFAOYSA-N

Smiles

CC1C(OC(N1)(C(F)(F)F)C(F)(F)F)Cc2ccccc2

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 200mg/kg (200mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 1215, 1970.