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Substance Name: 1-Piperazineacetic acid, 4-(2-((p-fluorophenyl)phenylmethoxy)ethyl)-, dimaleate, sesquihydrate
RN: 61897-03-8
InChIKey: IBANHPKDJDCREV-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H25-F-N2-O3.2C4-H4-O4.3/2H2-O

Molecular Weight

  • 604.5807
 
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Names and Synonyms

Synonym

  • 4-(2-(p-Fluorophenyl-phenylmethoxy)ethyl)-1-piperazineacetic acid dimaleate sesquihydrate

Systematic Name

  • 1-Piperazineacetic acid, 4-(2-((p-fluorophenyl)phenylmethoxy)ethyl)-, dimaleate, sesquihydrate

Registry Numbers

CAS Registry Number

  • 61897-03-8

System Generated Number

  • 0061897038

Molecular Formulas

Molecular Formula

  • C21-H25-F-N2-O3.2C4-H4-O4.3/2H2-O

Molecular Formula Fragments

  • C21-H25-F-N2-O3
  • C4-H4-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C21H25FN2O3.2C4H4O4/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)27-15-14-23-10-12-24(13-11-23)16-20(25)26;2*5-3(6)1-2-4(7)8/h1-9,21H,10-16H2,(H,25,26);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

IBANHPKDJDCREV-LVEZLNDCSA-N

Smiles

c1ccc(cc1)C(OCCN2CCN(CC2)CC(=O)O)c3ccc(cc3)F.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1768mg/kg (1768mg/kg)   Journal of Medicinal Chemistry. Vol. 23, Pg. 149, 1980.