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Substance Name: 1-Piperazinepropionic acid, 4-(3-(diphenylmethoxy)propyl)-, ethyl ester, dihydrochloride
RN: 61897-38-9
InChIKey: XCHLBVHFUKMRBU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H34-N2-O3.2Cl-H

Molecular Weight

  • 483.4764
 
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Names and Synonyms

Synonym

  • 4-(3-(Diphenylmethoxy)propyl)-1-piperazinepropionic acid ethyl ester dihydrochloride

Systematic Name

  • 1-Piperazinepropionic acid, 4-(3-(diphenylmethoxy)propyl)-, ethyl ester, dihydrochloride

Registry Numbers

CAS Registry Number

  • 61897-38-9

System Generated Number

  • 0061897389

Molecular Formulas

Molecular Formula

  • C25-H34-N2-O3.2Cl-H

Molecular Formula Fragments

  • C25-H34-N2-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C25H34N2O3.2ClH/c1-2-29-24(28)14-16-27-19-17-26(18-20-27)15-9-21-30-25(22-10-5-3-6-11-22)23-12-7-4-8-13-23;;/h3-8,10-13,25H,2,9,14-21H2,1H3;2*1H

InChIKey

XCHLBVHFUKMRBU-UHFFFAOYSA-N

Smiles

CCOC(=O)CCN1CCN(CC1)CCCOC(c2ccccc2)c3ccccc3.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 870mg/kg (870mg/kg)   Journal of Medicinal Chemistry. Vol. 23, Pg. 149, 1980.