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Substance Name: Acetic acid, (2-(4-((4-fluorophenyl)phenylmethyl)-1-piperazinyl)ethoxy)-, hydrate
RN: 83881-57-6
InChIKey: ACMKLMXMTWDEHI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H25-F-N2-O3.H2-O

Molecular Weight

  • 372.4375
 
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Names and Synonyms

Synonym

  • (2-(4-((4-Fluorophenyl)phenylmethyl)-1-piperazinyl)ethoxy)acetic acid hydrate

Systematic Name

  • Acetic acid, (2-(4-((4-fluorophenyl)phenylmethyl)-1-piperazinyl)ethoxy)-, hydrate

Registry Numbers

CAS Registry Number

  • 83881-57-6

System Generated Number

  • 0083881576

Molecular Formulas

Molecular Formula

  • C21-H25-F-N2-O3.H2-O

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C21H25FN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)

InChIKey

ACMKLMXMTWDEHI-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C(c2ccc(cc2)F)N3CCN(CC3)CCOCC(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 372mg/kg (372mg/kg)   United States Patent Document. Vol. #4525358,