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Substance Name: Benzoic acid, 3-(trifluoromethyl)-, 1,2,3,3-tetramethyl-2-azabicyclo(2.2.2)oct-5-yl ester, (1-alpha,4-alpha,5-alpha)-
RN: 75479-62-8
InChIKey: CVLPWMQKDWUJOC-RKVPGOIHSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H24-F3-N-O2

Molecular Weight

  • 355.3976
 
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Names and Synonyms

Synonym

  • 1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol trifluoromethylbenzoate

Systematic Name

  • Benzoic acid, 3-(trifluoromethyl)-, 1,2,3,3-tetramethyl-2-azabicyclo(2.2.2)oct-5-yl ester, (1-alpha,4-alpha,5-alpha)-

Registry Numbers

CAS Registry Number

  • 75479-62-8

System Generated Number

  • 0075479628

Structure Descriptors

InChI

1S/C19H24F3NO2/c1-17(2)14-8-9-18(3,23(17)4)11-15(14)25-16(24)12-6-5-7-13(10-12)19(20,21)22/h5-7,10,14-15H,8-9,11H2,1-4H3/t14-,15-,18+/m1/s1

InChIKey

CVLPWMQKDWUJOC-RKVPGOIHSA-N

Smiles

C[C@]12CC[C@H]([C@@H](C1)OC(=O)c3cccc(c3)C(F)(F)F)C(N2C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo intravenous 10mg/kg (10mg/kg)   Farmaco, Edizione Scientifica. Vol. 35, Pg. 551, 1980.