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Substance Name: Acetophenone, 2-(cyclohexylamino)-3',4',5'-trimethoxy-, hydrobromide
RN: 23771-16-6
InChIKey: UNYRDDPUXLPSCB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H25-N-O4.Br-H

Molecular Weight

  • 388.299
 
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Names and Synonyms

Synonym

  • 2-(Cyclohexylamino)-3',4',5'-trimethoxy-acetophenone hydrobromide

Systematic Name

  • Acetophenone, 2-(cyclohexylamino)-3',4',5'-trimethoxy-, hydrobromide

Registry Numbers

CAS Registry Number

  • 23771-16-6

System Generated Number

  • 0023771166

Molecular Formulas

Molecular Formula

  • C17-H25-N-O4.Br-H

Molecular Formula Fragments

  • Br-H
  • C17-H25-N-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C17H25NO4.BrH/c1-20-15-9-12(10-16(21-2)17(15)22-3)14(19)11-18-13-7-5-4-6-8-13;/h9-10,13,18H,4-8,11H2,1-3H3;1H

InChIKey

UNYRDDPUXLPSCB-UHFFFAOYSA-N

Smiles

c1(cc(c(OC)c(c1)OC)OC)C(C[NH2+]C1CCCCC1)=O.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 865, 1969.