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Substance Name: 1-Piperazinebutyric acid, 4-(2-(diphenylmethoxy)ethyl)-, dihydrochloride, dihydrate
RN: 101976-00-5
InChIKey: CROZGEVYMQAZOG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H30-N2-O3.2Cl-H.2H2-O

Molecular Weight

  • 455.4228
 
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Names and Synonyms

Synonym

  • 4-(2-(Diphenylmethoxy)ethyl)-1-piperazinebutyric acid dihydrochloride dihydrate

Systematic Name

  • 1-Piperazinebutyric acid, 4-(2-(diphenylmethoxy)ethyl)-, dihydrochloride, dihydrate

Registry Numbers

CAS Registry Number

  • 101976-00-5

System Generated Number

  • 0101976005

Molecular Formulas

Molecular Formula

  • C23-H30-N2-O3.2Cl-H.2H2-O

Molecular Formula Fragments

  • C23-H30-N2-O3
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C23H30N2O3.2ClH/c26-22(27)12-7-13-24-14-16-25(17-15-24)18-19-28-23(20-8-3-1-4-9-20)21-10-5-2-6-11-21;;/h1-6,8-11,23H,7,12-19H2,(H,26,27);2*1H

InChIKey

CROZGEVYMQAZOG-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C(c2ccccc2)OCCN3CCN(CC3)CCCC(=O)O.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1671mg/kg (1671mg/kg)   Journal of Medicinal Chemistry. Vol. 23, Pg. 149, 1980.