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Substance Name: Piperazine, 1-piperonyl-4-(3,7,11-trimethyl-2,6,10-dodecantrienyl)-, methanesulfonate (salt)
RN: 102517-11-3
InChIKey: HSJWPJDJVJYZNT-MLPTUPEHSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H40-N2-O2.x-C-H4-O3-S

Molecular Weight

  • 520.7306
 
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Names and Synonyms

Synonyms

  • 1-Piperonyl-4-(3,7,11-trimethyl-2,6,10-dodecantrienyl)-piperazine methanesulfonate
  • Pifarnine methanesulfonate
  • Pifazine methanesulfonate
  • U 27 methanesulfonate

Systematic Name

  • Piperazine, 1-piperonyl-4-(3,7,11-trimethyl-2,6,10-dodecantrienyl)-, methanesulfonate (salt)

Registry Numbers

CAS Registry Number

  • 102517-11-3

System Generated Number

  • 0102517113

Molecular Formulas

Molecular Formula

  • C27-H40-N2-O2.x-C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C27-H40-N2-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C27H40N2O2.CH4O3S/c1-22(2)7-5-8-23(3)9-6-10-24(4)13-14-28-15-17-29(18-16-28)20-25-11-12-26-27(19-25)31-21-30-26;1-5(2,3)4/h7,9,11-13,19H,5-6,8,10,14-18,20-21H2,1-4H3;1H3,(H,2,3,4)/b23-9+,24-13+;

InChIKey

HSJWPJDJVJYZNT-MLPTUPEHSA-N

Smiles

CC(=CCC/C(=C/CC/C(=C/CN1CCN(CC1)Cc2ccc3c(c2)OCO3)/C)/C)C.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 oral 1gm/kg (1000mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 25, Pg. 580, 1975.
mouse LD50 intravenous 40600ug/kg (40.6mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 25, Pg. 580, 1975.
mouse LD50 oral 2175mg/kg (2175mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 25, Pg. 580, 1975.
rabbit LD50 oral 1gm/kg (1000mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 25, Pg. 580, 1975.
rat LD50 intravenous 33300ug/kg (33.3mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 25, Pg. 580, 1975.
rat LD50 oral 2610mg/kg (2610mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 25, Pg. 580, 1975.