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Substance Name: 1-Piperazineacetic acid, 4-(2-(diphenylmethoxy)ethyl)-, sodium salt, hemihydrate
RN: 61896-99-9
InChIKey: SATBZLVOGYRUKZ-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H25-N2-O3.Na.1/2H2-O

Molecular Weight

  • 376.4295
 
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Names and Synonyms

Synonym

  • 4-(2-(Diphenylmethoxy)ethyl)-1-piperazineacetic acid sodium salt hemihydrate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 61896-99-9

System Generated Number

  • 0061896999

Molecular Formulas

Molecular Formula

  • C21-H25-N2-O3.Na.1/2H2-O

Molecular Formula Fragments

  • C21-H25-N2-O3
  • COMPONENT
  • H2-O
  • Na

Structure Descriptors

InChI

1S/C21H26N2O3.Na/c24-20(25)17-23-13-11-22(12-14-23)15-16-26-21(18-7-3-1-4-8-18)19-9-5-2-6-10-19;/h1-10,21H,11-17H2,(H,24,25);/q;+1/p-1

InChIKey

SATBZLVOGYRUKZ-UHFFFAOYSA-M

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1657mg/kg (1657mg/kg)   Journal of Medicinal Chemistry. Vol. 23, Pg. 149, 1980.