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Substance Name: Acetophenone, 3',4'-dihydroxy-2-(hexahydro-1H-azepin-1-yl)-
RN: 20195-20-4
InChIKey: HXEXAVBFVYCOOG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H19-N-O3

Molecular Weight

  • 249.308
 
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Names and Synonyms

Synonyms

  • 3',4'-Dihydroxy-2-(hexahydro-1H-azepin-1-yl)acetophenone
  • 4-20-00-01423 (Beilstein Handbook Reference)
  • BRN 0201053
  • U 2556

Systematic Names

  • Acetophenone, 3',4'-dihydroxy-2-(hexahydro-1H-azepin-1-yl)-
  • Ethanone, 1-(3,4-dihydroxyphenyl)-2-(hexahydro-1H-azepin-1-yl)- (9CI)

Registry Numbers

CAS Registry Number

  • 20195-20-4

System Generated Number

  • 0020195204

Structure Descriptors

InChI

1S/C14H19NO3/c16-12-6-5-11(9-13(12)17)14(18)10-15-7-3-1-2-4-8-15/h5-6,9,16-17H,1-4,7-8,10H2

InChIKey

HXEXAVBFVYCOOG-UHFFFAOYSA-N

Smiles

c1(C(CN2CCCCCC2)=O)cc(c(O)cc1)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 43mg/kg (43mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 226, Pg. 493, 1955.