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Substance Name: 1-Acridinol, 1,2,3,4-tetrahydro-9-((phenylmethyl)amino)-6-(trifluoromethyl)-
RN: 104628-22-0
InChIKey: XDFZZQNTAWSQRW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H19-F3-N2-O

Molecular Weight

  • 372.3881
 
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Names and Synonyms

Synonyms

  • 9-((Phenylmethyl)amino)-6-(trifluoromethyl)-1,2,3,4-tetrahydro-1-acridinol
  • RTECS AS7280000

Systematic Name

  • 1-Acridinol, 1,2,3,4-tetrahydro-9-((phenylmethyl)amino)-6-(trifluoromethyl)-

Registry Numbers

CAS Registry Number

  • 104628-22-0

System Generated Number

  • 0104628220

Structure Descriptors

InChI

1S/C21H19F3N2O/c22-21(23,24)14-9-10-15-17(11-14)26-16-7-4-8-18(27)19(16)20(15)25-12-13-5-2-1-3-6-13/h1-3,5-6,9-11,18,27H,4,7-8,12H2,(H,25,26)

InChIKey

XDFZZQNTAWSQRW-UHFFFAOYSA-N

Smiles

C1[C@@H](c2c(c3ccc(cc3nc2CC1)C(F)(F)F)NCc1ccccc1)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal > 80mg/kg (80mg/kg)   Journal of Medicinal Chemistry. Vol. 32, Pg. 1805, 1989.