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Substance Name: Acetophenone, 4'-(2-hydroxy-3-(4-phenylpiperazinyl)propoxy)-
RN: 63990-49-8
InChIKey: HCECCXWIJRUZPU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H26-N2-O3

Molecular Weight

  • 354.447
 
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Names and Synonyms

Synonyms

  • 1-(4-Acetylphenoxy)-3-(4-phenylpiperazinyl)propan-2-ol
  • 4'-(2-Hydroxy-3-(4-phenylpiperazinyl)propoxy)acetophenone
  • 5-23-02-00114 (Beilstein Handbook Reference)
  • BRN 0571385

Systematic Name

  • Acetophenone, 4'-(2-hydroxy-3-(4-phenylpiperazinyl)propoxy)-

Registry Numbers

CAS Registry Number

  • 63990-49-8

System Generated Number

  • 0063990498

Structure Descriptors

InChI

1S/C21H26N2O3/c1-17(24)18-7-9-21(10-8-18)26-16-20(25)15-22-11-13-23(14-12-22)19-5-3-2-4-6-19/h2-10,20,25H,11-16H2,1H3

InChIKey

HCECCXWIJRUZPU-UHFFFAOYSA-N

Smiles

N1(c2ccccc2)CCN(C[C@@H](COc2ccc(C(C)=O)cc2)O)CC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 286, 1972.