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Substance Name: 2-Propen-1-one, 1-(5-chloro-2-hydroxy-3-(hydroxymethyl)phenyl)-3-(3-hydroxy-4-methoxyphenyl)-
RN: 108051-43-0
InChIKey: YDMLSWGHUZRJJO-DUXPYHPUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H15-Cl-O5

Molecular Weight

  • 334.7535
 
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Names and Synonyms

Synonyms

  • 1-(5-Chloro-2-hydroxy-3-(hydroxymethyl)phenyl)-3-(3-hydroxy-4-methoxyphenyl)-2-propen-1-one
  • Acrylophenone, 5'-chloro-2'-hydroxy-3'-hydroxymethyl-3-(m-hydroxy-p-methoxyphenyl)-
  • BRN 5596289
  • RTECS UJ0490000

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 108051-43-0

System Generated Number

  • 0108051430

Structure Descriptors

InChI

1S/C17H15ClO5/c1-23-16-5-3-10(6-15(16)21)2-4-14(20)13-8-12(18)7-11(9-19)17(13)22/h2-8,19,21-22H,9H2,1H3/b4-2+

InChIKey

YDMLSWGHUZRJJO-DUXPYHPUSA-N

Smiles

COc1ccc(cc1O)/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 750mg/kg (750mg/kg)   Pharmaceutical Chemistry Journal Vol. 20, Pg. 406, 1986.