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Substance Name: 1-Piperazinecarboxylic acid, 4-((2,4,6-trimethylphenyl)methyl)-, ethyl ester, (Z)-2-butenedioate (1:1)
RN: 61014-83-3
InChIKey: BHDDQMBYRIXSDR-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H26-N2-O2.C4-H4-O4

Molecular Weight

  • 406.476
 
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Names and Synonyms

Synonym

  • 4-((2,4,6-Trimethylphenyl)methyl)-1-piperazinecarboxylic acid ethyl ester maleate

Systematic Name

  • 1-Piperazinecarboxylic acid, 4-((2,4,6-trimethylphenyl)methyl)-, ethyl ester, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 61014-83-3

System Generated Number

  • 0061014833

Molecular Formulas

Molecular Formula

  • C17-H26-N2-O2.C4-H4-O4

Molecular Formula Fragments

  • C17-H26-N2-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C17H26N2O2.C4H4O4/c1-5-21-17(20)19-8-6-18(7-9-19)12-16-14(3)10-13(2)11-15(16)4;5-3(6)1-2-4(7)8/h10-11H,5-9,12H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

BHDDQMBYRIXSDR-WLHGVMLRSA-N

Smiles

CCOC(=O)N1CCN(CC1)Cc2c(cc(cc2C)C)C.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 50mg/kg (50mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) Collection of Czechoslovak Chemical Communications. Vol. 41, Pg. 1035, 1976.