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Substance Name: 1-Piperazineethanol, 4-((2-oxo-1-pyrrolidinyl)acetyl)-, (Z)-2-butenedioate (1:1) (salt)
RN: 109758-23-8
InChIKey: VEHSMZOVRIEVIW-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H21-N3-O3.C4-H4-O4

Molecular Weight

  • 371.3875
 
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Names and Synonyms

Synonyms

  • 4-((2-Oxo-1-pyrrolidinyl)acetyl)-1-piperazineethanol (Z)-2-butenedioate (1:1) (salt)
  • M.G. 16236

Systematic Name

  • 1-Piperazineethanol, 4-((2-oxo-1-pyrrolidinyl)acetyl)-, (Z)-2-butenedioate (1:1) (salt)

Registry Numbers

CAS Registry Number

  • 109758-23-8

System Generated Number

  • 0109758238

Molecular Formulas

Molecular Formula

  • C12-H21-N3-O3.C4-H4-O4

Molecular Formula Fragments

  • C12-H21-N3-O3
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C12H21N3O3.C4H4O4/c16-9-8-13-4-6-14(7-5-13)12(18)10-15-3-1-2-11(15)17;5-3(6)1-2-4(7)8/h16H,1-10H2;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

VEHSMZOVRIEVIW-WLHGVMLRSA-N

Smiles

C1CC(=O)N(C1)CC(=O)N2CCN(CC2)CCO.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Farmaco, Edizione Scientifica. Vol. 42, Pg. 359, 1987.