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Substance Name: 1-Propanone, 1-(3-ethyl-4-propoxyphenyl)-3-(hexahydro-1H-azepin-1-yl)-, hydrochloride (9CI)
RN: 30075-13-9
InChIKey: DQICVBQNRQCIFB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H31-N-O2.Cl-H

Molecular Weight

  • 353.931
 
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Names and Synonyms

Synonyms

  • 3'-Ethyl-3-(hexahydro-1H-azepin-1-yl)-4'-propoxy-propiophenone hydrochloride
  • beta-(Hexamethylenimino)aethyl-(4-n-propoxy-3-aethylphenyl)-ketonhydrochlorid
  • beta-(Hexamethylenimino)aethyl-(4-n-propoxy-3-aethylphenyl)-ketonhydrochlorid [German]

Systematic Names

  • 1-Propanone, 1-(3-ethyl-4-propoxyphenyl)-3-(hexahydro-1H-azepin-1-yl)-, hydrochloride (9CI)
  • Propiophenone, 3'-ethyl-3-(hexahydro-1H-azepin-1-yl)-4'-propoxy-, hydrochloride

Registry Numbers

CAS Registry Number

  • 30075-13-9

System Generated Number

  • 0030075139

Molecular Formulas

Molecular Formula

  • C20-H31-N-O2.Cl-H

Molecular Formula Fragments

  • C20-H31-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H31NO2.ClH/c1-3-15-23-20-10-9-18(16-17(20)4-2)19(22)11-14-21-12-7-5-6-8-13-21;/h9-10,16H,3-8,11-15H2,1-2H3;1H

InChIKey

DQICVBQNRQCIFB-UHFFFAOYSA-N

Smiles

C(CCN1CCCCCC1)(=O)c1cc(c(cc1)OCCC)CC.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 450mg/kg (450mg/kg)   Pharmazie. Vol. 28, Pg. 636, 1973.