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Substance Name: Tropane, 3-(alpha-(alpha,alpha,alpha-trifluoro-m-tolyl)benzyloxy)-, fumarate
RN: 3216-12-4
InChIKey: METYWMAKROACHM-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H24-F3-N-O.C4-H4-O4

Molecular Weight

  • 491.503
 
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Names and Synonyms

Synonym

  • 3-(alpha-(alpha,alpha,alpha-Trifluoro-m-tolyl)benzyloxy)tropane fumarate

Systematic Name

  • Tropane, 3-(alpha-(alpha,alpha,alpha-trifluoro-m-tolyl)benzyloxy)-, fumarate

Registry Numbers

CAS Registry Number

  • 3216-12-4

System Generated Number

  • 0003216124

Molecular Formulas

Molecular Formula

  • C22-H24-F3-N-O.C4-H4-O4

Molecular Formula Fragments

  • C22-H24-F3-N-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C22H24F3NO.C4H4O4/c1-26-18-10-11-19(26)14-20(13-18)27-21(15-6-3-2-4-7-15)16-8-5-9-17(12-16)22(23,24)25;5-3(6)1-2-4(7)8/h2-9,12,18-21H,10-11,13-14H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

METYWMAKROACHM-WLHGVMLRSA-N

Smiles

C1(O[C@@H](c2ccccc2)c2cccc(c2)C(F)(F)F)C[C@@H]2CC[C@@H](C1)N2C.C(\C=C\C(=O)O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 400mg/kg (400mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Arzneimittel-Forschung. Drug Research. Vol. 14, Pg. 964, 1964.