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Substance Name: Ethanone, 1-(2,5-bis(3-(3,6-dihydro-4-phenyl-1(2H)-pyridinyl)-2-hydroxypropoxy)phenyl)-
RN: 87049-31-8
InChIKey: MUQNLEBTKABPCT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C36-H42-N2-O5

Molecular Weight

  • 582.737
 
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Names and Synonyms

Synonyms

  • 1-(2,5-Bis(3-(3,6-dihydro-4-phenyl-1(2H)-pyridinyl)-2-hydroxypropoxy)phenyl)ethanone
  • BRN 4620148

Systematic Name

  • Ethanone, 1-(2,5-bis(3-(3,6-dihydro-4-phenyl-1(2H)-pyridinyl)-2-hydroxypropoxy)phenyl)-

Registry Numbers

CAS Registry Number

  • 87049-31-8

System Generated Number

  • 0087049318

Structure Descriptors

InChI

1S/C36H42N2O5/c1-27(39)35-22-34(42-25-32(40)23-37-18-14-30(15-19-37)28-8-4-2-5-9-28)12-13-36(35)43-26-33(41)24-38-20-16-31(17-21-38)29-10-6-3-7-11-29/h2-14,16,22,32-33,40-41H,15,17-21,23-26H2,1H3

InChIKey

MUQNLEBTKABPCT-UHFFFAOYSA-N

Smiles

c1(c(cc(OC[C@@H](C[N@@]2CCC(c3ccccc3)=CC2)O)cc1)C(C)=O)OC[C@@H](C[N@@]1CCC(c2ccccc2)=CC1)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 681mg/kg (681mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 22, Pg. 140, 1983.