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Substance Name: Phenol, 4-(1-hydroxy-2,2,4,4-tetramethyl-3-(4-(2-pyridinyl)-1-piperazinyl)cyclobutyl)-, dihydrochloride, cis-
RN: 53087-94-8
InChIKey: LFXQXKDRZOCSJT-OSNXUIMMSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H31-N3-O2.2Cl-H

Molecular Weight

  • 454.4387
 
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Names and Synonyms

Synonym

  • cis-1-(4-Hydroxyphenyl)-2,2,4,4-tetramethyl-3-(4-(pyridyl-2)piperazinyl)cyclobutanol-(1) 2HCl

Systematic Name

  • Phenol, 4-(1-hydroxy-2,2,4,4-tetramethyl-3-(4-(2-pyridinyl)-1-piperazinyl)cyclobutyl)-, dihydrochloride, cis-

Registry Numbers

CAS Registry Number

  • 53087-94-8

System Generated Number

  • 0053087948

Molecular Formulas

Molecular Formula

  • C23-H31-N3-O2.2Cl-H

Molecular Formula Fragments

  • C23-H31-N3-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H31N3O2.2ClH/c1-21(2)20(22(3,4)23(21,28)17-8-10-18(27)11-9-17)26-15-13-25(14-16-26)19-7-5-6-12-24-19;;/h5-12,20,27-28H,13-16H2,1-4H3;2*1H/t20-,23-;;

InChIKey

LFXQXKDRZOCSJT-OSNXUIMMSA-N

Smiles

CC1([C@@](C([C@H]1N2CCN(CC2)c3ncccc3)(C)C)(O)c4ccc(cc4)O)C.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 338mg/kg (338mg/kg)   United States Patent Document. Vol. #3992536,