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Substance Name: 3-Buten-2-one, 3-(2-(3-(diisopropylamino)propoxy)phenoxy)-4-phenyl-, (Z)-
RN: 106063-94-9
InChIKey: NHRXBAWIRXVUEH-BWAHOGKJSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H33-N-O3

Molecular Weight

  • 395.54
 
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Names and Synonyms

Synonyms

  • (Z)-3-(2-(3-(Diisopropylamino)propoxy)phenoxy)-4-phenyl-3-buten-2-one
  • BRN 6230842

Systematic Name

  • 3-Buten-2-one, 3-(2-(3-(diisopropylamino)propoxy)phenoxy)-4-phenyl-, (Z)-

Registry Numbers

CAS Registry Number

  • 106063-94-9

System Generated Number

  • 0106063949

Structure Descriptors

InChI

1S/C25H33NO3/c1-19(2)26(20(3)4)16-11-17-28-23-14-9-10-15-24(23)29-25(21(5)27)18-22-12-7-6-8-13-22/h6-10,12-15,18-20H,11,16-17H2,1-5H3/b25-18-

InChIKey

NHRXBAWIRXVUEH-BWAHOGKJSA-N

Smiles

c1(c(OCCCN(C(C)C)C(C)C)cccc1)O\C(=C/c1ccccc1)C(C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 60mg/kg (60mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 773, 1987.
rat LD50 intravenous 11400ug/kg (11.4mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 773, 1987.