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Substance Name: Pyrimidine, 2-(4-(3-(4-methoxyphenyl)-3,3-diphenylpropyl)-1-piperazinyl)-, dimethanesulfonate
RN: 36371-41-2
InChIKey: KXMVBESUCZTBIQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H32-N4-O.2C-H4-O3-S

Molecular Weight

  • 656.821
 
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Names and Synonyms

Synonym

  • 2-(4-(3-(4-Methoxyphenyl)-3,3-diphenylpropyl)-1-piperazinyl)pyrimidine dimethanesulfonate

Systematic Name

  • Pyrimidine, 2-(4-(3-(4-methoxyphenyl)-3,3-diphenylpropyl)-1-piperazinyl)-, dimethanesulfonate

Registry Numbers

CAS Registry Number

  • 36371-41-2

System Generated Number

  • 0036371412

Molecular Formulas

Molecular Formula

  • C30-H32-N4-O.2C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C30-H32-N4-O
  • COMPONENT

Structure Descriptors

InChI

1S/C30H32N4O.2CH4O3S/c1-35-28-15-13-27(14-16-28)30(25-9-4-2-5-10-25,26-11-6-3-7-12-26)17-20-33-21-23-34(24-22-33)29-31-18-8-19-32-29;2*1-5(2,3)4/h2-16,18-19H,17,20-24H2,1H3;2*1H3,(H,2,3,4)

InChIKey

KXMVBESUCZTBIQ-UHFFFAOYSA-N

Smiles

c1(N2CCN(CCC(c3ccccc3)(c3ccccc3)c3ccc(cc3)OC)CC2)ncccn1.CS(=O)(=O)O.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 2gm/kg (2000mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 295, 1972.