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Substance Name: 1-Piperazinamine, N-(phenylmethylene)-4-((2,4,6-trimethylphenyl)methyl)-, monomethanesulfonate
RN: 55212-65-2
InChIKey: ZTVRTDCUDSRVRD-WXXHTBLMSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H27-N3.C-H4-O3-S

Molecular Weight

  • 417.5709
 
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Names and Synonyms

Synonym

  • 1-(Benzylideneamino)-4-(2,4,6-trimethylbenzyl)piperazine methanesulfonate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 55212-65-2

System Generated Number

  • 0055212652

Molecular Formulas

Molecular Formula

  • C21-H27-N3.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C21-H27-N3
  • COMPONENT

Structure Descriptors

InChI

1S/C21H27N3.CH4O3S/c1-17-13-18(2)21(19(3)14-17)16-23-9-11-24(12-10-23)22-15-20-7-5-4-6-8-20;1-5(2,3)4/h4-8,13-15H,9-12,16H2,1-3H3;1H3,(H,2,3,4)/b22-15+;

InChIKey

ZTVRTDCUDSRVRD-WXXHTBLMSA-N

Smiles

Cc1cc(c(c(c1)C)CN2CCN(CC2)/N=C/c3ccccc3)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. 48, Pg. 1035, 1976.