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Substance Name: Ethanone, 1-(1-(2-hydroxy-3-(4-nitrophenoxy)propyl)-4-phenyl-4-piperidinyl)-
RN: 64511-74-6
InChIKey: YMNPUBGNJIURLZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H26-N2-O5

Molecular Weight

  • 398.4564
 
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Names and Synonyms

Synonyms

  • 1-(1-(2-Hydroxy-3-(4-nitrophenoxy)propyl)-4-phenyl-4-piperidinyl)ethanone
  • 5-21-08-00167 (Beilstein Handbook Reference)
  • BRN 1513796

Systematic Name

  • Ethanone, 1-(1-(2-hydroxy-3-(4-nitrophenoxy)propyl)-4-phenyl-4-piperidinyl)-

Registry Numbers

CAS Registry Number

  • 64511-74-6

System Generated Number

  • 0064511746

Structure Descriptors

InChI

1S/C22H26N2O5/c1-17(25)22(18-5-3-2-4-6-18)11-13-23(14-12-22)15-20(26)16-29-21-9-7-19(8-10-21)24(27)28/h2-10,20,26H,11-16H2,1H3

InChIKey

YMNPUBGNJIURLZ-UHFFFAOYSA-N

Smiles

CC(=O)C1(CCN(CC1)CC(COc2ccc(cc2)[N+](=O)[O-])O)c3ccccc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 800mg/kg (800mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 15, Pg. 466, 1977.