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Substance Name: 3-Pyrrolidinol, 2-methyl-3-(alpha,alpha,alpha-trifluoro-m-tolyl)-, hydrochloride
RN: 1841-33-4
InChIKey: NSKZKVHNDDDAGW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H14-F3-N-O.Cl-H

Molecular Weight

  • 281.703
 
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Names and Synonyms

Synonym

  • 2-Methyl-3-(alpha,alpha,alpha-trifluoro-m-tolyl)-3-pyrrolidinol hydrochloride

Systematic Name

  • 3-Pyrrolidinol, 2-methyl-3-(alpha,alpha,alpha-trifluoro-m-tolyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 1841-33-4

System Generated Number

  • 0001841334

Molecular Formulas

Molecular Formula

  • C12-H14-F3-N-O.Cl-H

Molecular Formula Fragments

  • C12-H14-F3-N-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C12H14F3NO.ClH/c1-8-11(17,5-6-16-8)9-3-2-4-10(7-9)12(13,14)15;/h2-4,7-8,16-17H,5-6H2,1H3;1H

InChIKey

NSKZKVHNDDDAGW-UHFFFAOYSA-N

Smiles

c1ccc(cc1[C@@]1([C@@H](NCC1)C)O)C(F)(F)F.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 102mg/kg (102mg/kg)   Journal of Medicinal Chemistry. Vol. 7, Pg. 60, 1964.