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Substance Name: 1-Piperazinepropionic acid, 4-(2-(diphenylmethoxy)ethyl)-, sodium salt, hemihydrate
RN: 61897-00-5
InChIKey: VRHMAUWXPIFSEC-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H27-N2-O3.Na.1/2H2-O

Molecular Weight

  • 390.4563
 
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Names and Synonyms

Synonyms

  • 1-Piperazinepropanoic acid, 4-(2-(diphenylmethoxy)ethyl)-, sodium salt, hemihydrate
  • 4-(2-(Diphenylmethoxy)ethyl)-1-piperazinepropionic acid sodium salt hemihydrate

Systematic Name

  • 1-Piperazinepropionic acid, 4-(2-(diphenylmethoxy)ethyl)-, sodium salt, hemihydrate

Registry Numbers

CAS Registry Number

  • 61897-00-5

System Generated Number

  • 0061897005

Molecular Formulas

Molecular Formula

  • C22-H27-N2-O3.Na.1/2H2-O

Molecular Formula Fragments

  • C22-H27-N2-O3
  • COMPONENT
  • H2-O
  • Na

Structure Descriptors

InChI

1S/C22H28N2O3.Na/c25-21(26)11-12-23-13-15-24(16-14-23)17-18-27-22(19-7-3-1-4-8-19)20-9-5-2-6-10-20;/h1-10,22H,11-18H2,(H,25,26);/q;+1/p-1

InChIKey

VRHMAUWXPIFSEC-UHFFFAOYSA-M

Smiles

c1ccc(cc1)C(c2ccccc2)OCCN3CCN(CC3)CCC(=O)[O-].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1438mg/kg (1438mg/kg)   Journal of Medicinal Chemistry. Vol. 23, Pg. 149, 1980.