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Substance Name: Acetamide, N-(3-(4-(4,4-bis(4-fluorophenyl)butyl)-1-piperazinyl)-2-hydroxypropyl)-N-phenyl-, dihydrochloride
RN: 143780-45-4
InChIKey: SQESRDHRIVKDAW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H37-F2-N3-O2.2Cl-H

Molecular Weight

  • 594.5701
 
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Names and Synonyms

Synonym

  • 1-(3-(N-Acetyl-N-phenylamino)-2-hydroxypropyl)-4-(4,4-bis(4-fluorophenyl)butyl)piperazine 2HCl

Systematic Name

  • Acetamide, N-(3-(4-(4,4-bis(4-fluorophenyl)butyl)-1-piperazinyl)-2-hydroxypropyl)-N-phenyl-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 143780-45-4

System Generated Number

  • 0143780454

Molecular Formulas

Molecular Formula

  • C31-H37-F2-N3-O2.2Cl-H

Molecular Formula Fragments

  • C31-H37-F2-N3-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C31H37F2N3O2.2ClH/c1-24(37)36(29-6-3-2-4-7-29)23-30(38)22-35-20-18-34(19-21-35)17-5-8-31(25-9-13-27(32)14-10-25)26-11-15-28(33)16-12-26;;/h2-4,6-7,9-16,30-31,38H,5,8,17-23H2,1H3;2*1H

InChIKey

SQESRDHRIVKDAW-UHFFFAOYSA-N

Smiles

CC(=O)N(CC(CN1CCN(CC1)CCCC(c2ccc(cc2)F)c3ccc(cc3)F)O)c4ccccc4.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #5391552,