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Substance Name: 2-Propen-1-one, 1-(5-bromo-2,4-dihydroxyphenyl)-3-(4-(dimethylamino)phenyl)-
RN: 108051-34-9
InChIKey: AAELPVAYPRJXSF-VMPITWQZSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H16-Br-N-O3

Molecular Weight

  • 362.2214
 
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Names and Synonyms

Synonyms

  • 1-(5-Bromo-2,4-dihydroxyphenyl)-3-(4-(dimethylamino)phenyl)-2-propen-1-one
  • Acrylophenone, 5'-bromo-2',4'-dihydroxy-3-(p-(dimethylamino)phenyl)-
  • BRN 5569854

Systematic Name

  • 2-Propen-1-one, 1-(5-bromo-2,4-dihydroxyphenyl)-3-(4-(dimethylamino)phenyl)-

Registry Numbers

CAS Registry Number

  • 108051-34-9

System Generated Number

  • 0108051349

Structure Descriptors

InChI

1S/C17H16BrNO3/c1-19(2)12-6-3-11(4-7-12)5-8-15(20)13-9-14(18)17(22)10-16(13)21/h3-10,21-22H,1-2H3/b8-5+

InChIKey

AAELPVAYPRJXSF-VMPITWQZSA-N

Smiles

CN(C)c1ccc(cc1)/C=C/C(=O)c2cc(c(cc2O)O)Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 200mg/kg (200mg/kg)   Pharmaceutical Chemistry Journal Vol. 20, Pg. 406, 1986.