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Substance Name: 1-Piperazineacetic acid, 4-methyl-, (2'-chloro(1,1'-biphenyl)-4-yl)methyl ester, (Z)-2-butenedioate (1:2)
RN: 109523-90-2
InChIKey: TXRGUYWDTUOMMG-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H23-Cl-N2-O2.2C4-H4-O4

Molecular Weight

  • 591.0099
 
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Names and Synonyms

Synonyms

  • 4-((4-Methyl-1-piperazinyl)acetoxymethyl)-2'-chlorobiphenyl dihydrogen maleate
  • F 2876

Systematic Name

  • 1-Piperazineacetic acid, 4-methyl-, (2'-chloro(1,1'-biphenyl)-4-yl)methyl ester, (Z)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 109523-90-2

System Generated Number

  • 0109523902

Molecular Formulas

Molecular Formula

  • C20-H23-Cl-N2-O2.2C4-H4-O4

Molecular Formula Fragments

  • C20-H23-Cl-N2-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C20H23ClN2O2.2C4H4O4/c1-22-10-12-23(13-11-22)14-20(24)25-15-16-6-8-17(9-7-16)18-4-2-3-5-19(18)21;2*5-3(6)1-2-4(7)8/h2-9H,10-15H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

TXRGUYWDTUOMMG-LVEZLNDCSA-N

Smiles

CN1CCN(CC1)CC(=O)OCc2ccc(cc2)c3c(cccc3)Cl.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous > 100mg/kg (100mg/kg)   United States Patent Document. Vol. #4734417,
mouse LD50 oral 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #4734417,