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Substance Name: Piperazine, 1-(p-tert-butylbenzyl)-4-(2-(N-(alpha-(p-chlorophenyl)benzyl)-N-methylamino)ethyl)-, dimaleate
RN: 63980-47-2
InChIKey: PVFBDKAYNYTAQP-SPIKMXEPSA-N

Molecular Formula

  • C31-H40-Cl-N3.2C4-H4-O4

Molecular Weight

  • 722.274
 
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Names and Synonyms

  • Piperazine, 1-(p-tert-butylbenzyl)-4-(2-(N-(alpha-(p-chlorophenyl)benzyl)-N-methylamino)ethyl)-, dimaleate

Registry Numbers

CAS Registry Number

  • 63980-47-2

System Generated Number

  • 0063980472

Molecular Formulas

Molecular Formula

  • C31-H40-Cl-N3.2C4-H4-O4

Molecular Formula Fragments

  • C31-H40-Cl-N3
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C31H40ClN3.2C4H4O4/c1-31(2,3)28-14-10-25(11-15-28)24-35-22-20-34(21-23-35)19-18-33(4)30(26-8-6-5-7-9-26)27-12-16-29(32)17-13-27;2*5-3(6)1-2-4(7)8/h5-17,30H,18-24H2,1-4H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-

InChIKey

PVFBDKAYNYTAQP-SPIKMXEPSA-N

Smiles

N1(Cc2ccc(C(C)(C)C)cc2)CCN(CC1)CC[N@@](C)[C@@H](c1ccc(cc1)Cl)c1ccccc1.OC(\C=C/C(=O)O)=O.OC(\C=C/C(=O)O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 800mg/kg (800mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 860, 1969.