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Substance Name: Acetophenone, 2'-((2-hydroxy-3-(4-(alpha,alpha,alpha-trifluoro-m-tolyl)piperazinyl))propoxy)-
RN: 63990-53-4
InChIKey: DWTDGCXSUCRGEH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H25-F3-N2-O3

Molecular Weight

  • 422.444
 
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Names and Synonyms

Synonym

  • BRN 0858382

Systematic Name

  • Acetophenone, 2'-((2-hydroxy-3-(4-(alpha,alpha,alpha-trifluoro-m-tolyl)piperazinyl))propoxy)-

Registry Numbers

CAS Registry Number

  • 63990-53-4

System Generated Number

  • 0063990534

Structure Descriptors

InChI

1S/C22H25F3N2O3/c1-16(28)20-7-2-3-8-21(20)30-15-19(29)14-26-9-11-27(12-10-26)18-6-4-5-17(13-18)22(23,24)25/h2-8,13,19,29H,9-12,14-15H2,1H3

InChIKey

DWTDGCXSUCRGEH-UHFFFAOYSA-N

Smiles

c1(N2CCN(C[C@@H](COc3c(cccc3)C(C)=O)O)CC2)cc(ccc1)C(F)(F)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1200mg/kg (1200mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 797, 1973.