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Substance Name: 9H-Purine, 6-(4-benzhydryl-1-piperazinyl)-, bis(methanesulfonate)
RN: 26132-67-2
InChIKey: HIKFPJJUSMZSQN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H22-N6.2C-H4-O3-S

Molecular Weight

  • 562.669
 
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Names and Synonyms

Synonyms

  • (Benzhydryl-4 piperazinyl-1)-6 purine bismethanesulfonate
  • 6-(4-Diphenylmethyl-1-piperazinyl)-9H-purine dimethanesulfonate

Systematic Name

  • 9H-Purine, 6-(4-benzhydryl-1-piperazinyl)-, bis(methanesulfonate)

Registry Numbers

CAS Registry Number

  • 26132-67-2

System Generated Number

  • 0026132672

Molecular Formulas

Molecular Formula

  • C22-H22-N6.2C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C22-H22-N6
  • COMPONENT

Structure Descriptors

InChI

1S/C22H22N6.2CH4O3S/c1-3-7-17(8-4-1)20(18-9-5-2-6-10-18)27-11-13-28(14-12-27)22-19-21(24-15-23-19)25-16-26-22;2*1-5(2,3)4/h1-10,15-16,20H,11-14H2,(H,23,24,25,26);2*1H3,(H,2,3,4)

InChIKey

HIKFPJJUSMZSQN-UHFFFAOYSA-N

Smiles

n1cnc2nc[nH]c(N3CCN(C(c4ccccc4)c4ccccc4)CC3)c12.CS(=O)(=O)O.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 211mg/kg (211mg/kg)   Chimica Therapeutica. Vol. 7, Pg. 192, 1972.