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Substance Name: Ethanone, 1-(2,4-bis(2-hydroxy-3-(4-hydroxy-4-phenyl-1-piperidinyl)propoxy)phenyl)-
RN: 87049-27-2
InChIKey: OIQCVFZTONBNGP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C36-H46-N2-O7

Molecular Weight

  • 618.766
 
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Names and Synonyms

Synonyms

  • 1-(2,4-Bis(2-hydroxy-3-(4-hydroxy-4-phenyl-1-piperidinyl)propoxy)phenyl)ethanone
  • BRN 4628177

Systematic Name

  • Ethanone, 1-(2,4-bis(2-hydroxy-3-(4-hydroxy-4-phenyl-1-piperidinyl)propoxy)phenyl)-

Registry Numbers

CAS Registry Number

  • 87049-27-2

System Generated Number

  • 0087049272

Structure Descriptors

InChI

1S/C36H46N2O7/c1-27(39)33-13-12-32(44-25-30(40)23-37-18-14-35(42,15-19-37)28-8-4-2-5-9-28)22-34(33)45-26-31(41)24-38-20-16-36(43,17-21-38)29-10-6-3-7-11-29/h2-13,22,30-31,40-43H,14-21,23-26H2,1H3

InChIKey

OIQCVFZTONBNGP-UHFFFAOYSA-N

Smiles

C1(c2ccccc2)(CCN(C[C@@H](COc2c(ccc(c2)OC[C@@H](CN2CCC(c3ccccc3)(O)CC2)O)C(C)=O)O)CC1)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 316mg/kg (316mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 22, Pg. 140, 1983.