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Substance Name: 2-Propen-1-one, 1-(5-chloro-2-hydroxy-3-(hydroxymethyl)phenyl)-3-(4-(dimethylamino)phenyl)-
RN: 108051-44-1
InChIKey: APVXPXPTHQHLDN-VMPITWQZSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H18-Cl-N-O3

Molecular Weight

  • 331.7972
 
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Names and Synonyms

Synonyms

  • 1-(5-Chloro-2-hydroxy-3-(hydroxymethyl)phenyl)-3-(4-(dimethylamino)phenyl)-2-propen-1-one
  • Acrylophenone, 5'-chloro-2'-hydroxy-3'-hydroxymethyl-3-(p-(dimethylamino)phenyl)-
  • BRN 5585563

Systematic Name

  • 2-Propen-1-one, 1-(5-chloro-2-hydroxy-3-(hydroxymethyl)phenyl)-3-(4-(dimethylamino)phenyl)-

Registry Numbers

CAS Registry Number

  • 108051-44-1

System Generated Number

  • 0108051441

Structure Descriptors

InChI

1S/C18H18ClNO3/c1-20(2)15-6-3-12(4-7-15)5-8-17(22)16-10-14(19)9-13(11-21)18(16)23/h3-10,21,23H,11H2,1-2H3/b8-5+

InChIKey

APVXPXPTHQHLDN-VMPITWQZSA-N

Smiles

CN(C)c1ccc(cc1)/C=C/C(=O)c2cc(cc(c2O)CO)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 470mg/kg (470mg/kg)   Pharmaceutical Chemistry Journal Vol. 20, Pg. 406, 1986.