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Substance Name: 2-Propen-1-one, 1-(5-chloro-2-hydroxy-3-(hydroxymethyl)phenyl)-3-(3,4-dimethoxyphenyl)-
RN: 82846-14-8
InChIKey: FETVTVCNRFBXRO-HWKANZROSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H17-Cl-O5

Molecular Weight

  • 348.7803
 
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Names and Synonyms

Synonyms

  • 1-(5-Chloro-2-hydroxy-3-(hydroxymethyl)phenyl)-3-(3,4-dimethoxyphenyl)-2-propen-1-one
  • Acrylophenone, 5'-chloro-2'-hydroxy-3'-hydroxymethyl-3-(3,4-dimethoxyphenyl)-
  • BRN 5598273

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 82846-14-8

System Generated Number

  • 0082846148

Structure Descriptors

InChI

1S/C18H17ClO5/c1-23-16-6-4-11(7-17(16)24-2)3-5-15(21)14-9-13(19)8-12(10-20)18(14)22/h3-9,20,22H,10H2,1-2H3/b5-3+

InChIKey

FETVTVCNRFBXRO-HWKANZROSA-N

Smiles

COc1ccc(cc1OC)/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 620mg/kg (620mg/kg)   Pharmaceutical Chemistry Journal Vol. 20, Pg. 406, 1986.