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Substance Name: 1-Acridinol, 1,2,3,4-tetrahydro-9-((4,4-bis(4-fluorophenyl)butyl)amino)-
RN: 104628-42-4
InChIKey: WFEGXUFMYIXSFD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H28-F2-N2-O

Molecular Weight

  • 458.5492
 
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Names and Synonyms

Synonym

  • 9-((4,4-Bis(4-fluorophenyl)butyl)amino)-1,2,3,4-tetrahydro-1-acridinol

Systematic Name

  • 1-Acridinol, 1,2,3,4-tetrahydro-9-((4,4-bis(4-fluorophenyl)butyl)amino)-

Registry Numbers

CAS Registry Number

  • 104628-42-4

System Generated Number

  • 0104628424

Structure Descriptors

InChI

1S/C29H28F2N2O/c30-21-14-10-19(11-15-21)23(20-12-16-22(31)17-13-20)6-4-18-32-29-24-5-1-2-7-25(24)33-26-8-3-9-27(34)28(26)29/h1-2,5,7,10-17,23,27,34H,3-4,6,8-9,18H2,(H,32,33)

InChIKey

WFEGXUFMYIXSFD-UHFFFAOYSA-N

Smiles

C1[C@@H](c2c(c3ccccc3nc2CC1)NCCCC(c1ccc(cc1)F)c1ccc(cc1)F)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.