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Substance Name: 4-O-Methylbutein
RN: 13323-67-6
InChIKey: WGVFVBIJKULVHA-QHHAFSJGSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H14-O5

Molecular Weight

  • 286.282
 
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Names and Synonyms

Name of Substance

  • 4-O-Methylbutein

Synonyms

  • 1-(2,4-Dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)-2-propen-1-one
  • Acrylophenone, 2',4'-dihydroxy-3-(m-hydroxy-p-methoxyphenyl)-

Systematic Name

  • 2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)-

Registry Numbers

CAS Registry Number

  • 13323-67-6

System Generated Number

  • 0013323676

Structure Descriptors

InChI

1S/C16H14O5/c1-21-16-7-3-10(8-15(16)20)2-6-13(18)12-5-4-11(17)9-14(12)19/h2-9,17,19-20H,1H3/b6-2+

InChIKey

WGVFVBIJKULVHA-QHHAFSJGSA-N

Smiles

c1(C(\C=C\c2cc(c(OC)cc2)O)=O)c(cc(O)cc1)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 630mg/kg (630mg/kg)   Pharmaceutical Chemistry Journal Vol. 20, Pg. 406, 1986.