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Substance Name: Azepine, hexahydro-1-(beta-(sec-butyl)-5-chloro-2-ethoxyphenethyl)-
RN: 29122-62-1
InChIKey: ADHODZSRIRPKGX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H32-Cl-N-O

Molecular Weight

  • 337.932
 
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Names and Synonyms

Synonyms

  • 1-(beta-(sec-Butyl)-5-chloro-2-ethoxyphenethyl)hexahydroazepine
  • BRN 1653733

Systematic Name

  • Azepine, hexahydro-1-(beta-(sec-butyl)-5-chloro-2-ethoxyphenethyl)-

Registry Numbers

CAS Registry Number

  • 29122-62-1

System Generated Number

  • 0029122621

Structure Descriptors

InChI

1S/C20H32ClNO/c1-4-16(3)19(15-22-12-8-6-7-9-13-22)18-14-17(21)10-11-20(18)23-5-2/h10-11,14,16,19H,4-9,12-13,15H2,1-3H3

InChIKey

ADHODZSRIRPKGX-UHFFFAOYSA-N

Smiles

c1([C@@H](CN2CCCCCC2)[C@@H](CC)C)c(ccc(c1)Cl)OCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 25mg/kg (25mg/kg)   Chimica Therapeutica. Vol. 6, Pg. 453, 1971.