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Substance Name: 4-Piperidinol, 1-(3-(9,9-dimethyl-10-acridanyl)propyl)-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-, hydrochloride, hydrate (4:4:1)
RN: 28028-08-2
InChIKey: KQLHAEYXPVJNDL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H33-F3-N2-O.Cl-H.1/4H2-O

Molecular Weight

  • 531.059
 
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Names and Synonyms

  • 4-Piperidinol, 1-(3-(9,9-dimethyl-10-acridanyl)propyl)-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-, hydrochloride, hydrate (4:4:1)

Registry Numbers

CAS Registry Number

  • 28028-08-2

System Generated Number

  • 0028028082

Molecular Formulas

Molecular Formula

  • C30-H33-F3-N2-O.Cl-H.1/4H2-O

Molecular Formula Fragments

  • C30-H33-F3-N2-O
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C30H33F3N2O.ClH/c1-28(2)24-11-3-5-13-26(24)35(27-14-6-4-12-25(27)28)18-8-17-34-19-15-29(36,16-20-34)22-9-7-10-23(21-22)30(31,32)33;/h3-7,9-14,21,36H,8,15-20H2,1-2H3;1H

InChIKey

KQLHAEYXPVJNDL-UHFFFAOYSA-N

Smiles

N1(CCC(CC1)(O)c1cc(ccc1)C(F)(F)F)CCCN1c2ccccc2C(c2ccccc12)(C)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 intraperitoneal 320mg/kg (320mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 644, 1970.