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Substance Name: 1-Piperazinamine, N-((4-chlorophenyl)methylene)-4-((2,4,6-trimethylphenyl)methyl)-, monomethanesulfonate
RN: 55212-67-4
InChIKey: SDVJZLGQPWJXFZ-MHVDTSALSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H26-Cl-N3.C-H4-O3-S

Molecular Weight

  • 452.016
 
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Names and Synonyms

  • 1-Piperazinamine, N-((4-chlorophenyl)methylene)-4-((2,4,6-trimethylphenyl)methyl)-, monomethanesulfonate

Registry Numbers

CAS Registry Number

  • 55212-67-4

System Generated Number

  • 0055212674

Molecular Formulas

Molecular Formula

  • C21-H26-Cl-N3.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C21-H26-Cl-N3
  • COMPONENT

Structure Descriptors

InChI

1S/C21H26ClN3.CH4O3S/c1-16-12-17(2)21(18(3)13-16)15-24-8-10-25(11-9-24)23-14-19-4-6-20(22)7-5-19;1-5(2,3)4/h4-7,12-14H,8-11,15H2,1-3H3;1H3,(H,2,3,4)/b23-14+;

InChIKey

SDVJZLGQPWJXFZ-MHVDTSALSA-N

Smiles

Cc1cc(c(c(c1)C)CN2CCN(CC2)/N=C/c3ccc(cc3)Cl)C.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 2500mg/kg (2500mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 41, Pg. 1035, 1976.