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Substance Name: Piperazine, 1-nitroso-4-((2-(phenylmethyl)phenyl)methyl)-, (Z) -2-butenedioate (1:1)
RN: 37652-85-0
InChIKey: ZIPHNRZTVAODBN-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H21-N3-O.C4-H4-O4

Molecular Weight

  • 411.4555
 
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Names and Synonyms

Synonyms

  • 1-(2-Benzylbenzyl)-4-nitrosopiperazine hydrogen maleate
  • 1-Nitroso-4-((2-(phenylmethyl)phenyl)methyl)piperazine maleate

Systematic Name

  • Piperazine, 1-nitroso-4-((2-(phenylmethyl)phenyl)methyl)-, (Z) -2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 37652-85-0

System Generated Number

  • 0037652850

Molecular Formulas

Molecular Formula

  • C18-H21-N3-O.C4-H4-O4

Molecular Formula Fragments

  • C18-H21-N3-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C18H21N3O.C4H4O4/c22-19-21-12-10-20(11-13-21)15-18-9-5-4-8-17(18)14-16-6-2-1-3-7-16;5-3(6)1-2-4(7)8/h1-9H,10-15H2;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

ZIPHNRZTVAODBN-WLHGVMLRSA-N

Smiles

c1ccc(cc1)Cc2ccccc2CN3CCN(CC3)N=O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1gm/kg (1000mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 37, Pg. 1371, 1972.