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Substance Name: 1-Piperazinecarboxylic acid, 4-(1H-benzimidazol-4-yl)-, ethyl ester, (Z)-2-butenedioate (1:1)
RN: 84806-83-7
InChIKey: HJCNCAGOAZNAQG-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H18-N4-O2.C4-H4-O4

Molecular Weight

  • 390.3938
 
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Names and Synonyms

Synonym

  • Ethyl 4-(1H-benzimidazol-4-yl)-1-piperazinecarboxylate (Z)-2-butenedioate (1:1)

Systematic Name

  • 1-Piperazinecarboxylic acid, 4-(1H-benzimidazol-4-yl)-, ethyl ester, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 84806-83-7

System Generated Number

  • 0084806837

Molecular Formulas

Molecular Formula

  • C14-H18-N4-O2.C4-H4-O4

Molecular Formula Fragments

  • C14-H18-N4-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C14H18N4O2.C4H4O4/c1-2-20-14(19)18-8-6-17(7-9-18)12-5-3-4-11-13(12)16-10-15-11;5-3(6)1-2-4(7)8/h3-5,10H,2,6-9H2,1H3,(H,15,16);1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

HJCNCAGOAZNAQG-WLHGVMLRSA-N

Smiles

CCOC(=O)N1CCN(CC1)c2cccc3c2nc[nH]3.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 160mg/kg (160mg/kg)   United States Patent Document. Vol. #4459296,