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Substance Name: 3-Buten-2-one, 4-phenyl-3-(2-(2-(1-pyrrolidinyl)ethoxy)phenoxy)-, (Z)-
RN: 106063-88-1
InChIKey: XXBBFEGHAPROSP-JWGURIENSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H25-N-O3

Molecular Weight

  • 351.444
 
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Names and Synonyms

Synonyms

  • (Z)-3-(2-(2-(1-Pyrrolidinyl)ethoxy)phenoxy)-4-phenyl-3-buten-2-one
  • BRN 6239528

Systematic Name

  • 3-Buten-2-one, 4-phenyl-3-(2-(2-(1-pyrrolidinyl)ethoxy)phenoxy)-, (Z)-

Registry Numbers

CAS Registry Number

  • 106063-88-1

System Generated Number

  • 0106063881

Structure Descriptors

InChI

1S/C22H25NO3/c1-17(24)22(16-18-8-3-2-4-9-18)26-21-12-6-5-11-20(21)25-15-13-19-10-7-14-23-19/h2-6,8-9,11-12,16,19,23H,7,10,13-15H2,1H3/b22-16-

InChIKey

XXBBFEGHAPROSP-JWGURIENSA-N

Smiles

c1(c(OCC[C@@H]2CCCN2)cccc1)O\C(=C/c1ccccc1)C(C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 45mg/kg (45mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 773, 1987.