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Substance Name: Didemethyldoxepin
RN: 5626-16-4
InChIKey: HLUSHBJOSPBFOC-DHDCSXOGSA-N

Molecular Formula

  • C17-H17-N-O

Molecular Weight

  • 251.3273
 
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Names and Synonyms

Name of Substance

  • Didemethyldoxepin

Synonyms

  • Desmethyldoxepin
  • Didemethyldoxepin
  • KS 1675

Systematic Names

  • 1-Propanamine, 3-dibenz(b,e)oxepin-11(6H)-ylidene- (9CI)
  • Dibenz(b,e)oxepin-delta(sup 11(6H)), gamma-propylamine

Registry Numbers

CAS Registry Number

  • 5626-16-4

System Generated Number

  • 0005626164

Structure Descriptors

InChI

1S/C17H17NO/c18-11-5-9-15-14-7-2-1-6-13(14)12-19-17-10-4-3-8-16(15)17/h1-4,6-10H,5,11-12,18H2/b15-9-

InChIKey

HLUSHBJOSPBFOC-DHDCSXOGSA-N

Smiles

NCC\C=C/1\c2ccccc2COc3ccccc13

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 92mg/kg (92mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 15, Pg. 863, 1965.
mouse LD50 intravenous 29mg/kg (29mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 15, Pg. 863, 1965.
mouse LD50 oral 118mg/kg (118mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 15, Pg. 863, 1965.
rabbit LD50 intravenous 13400ug/kg (13.4mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 15, Pg. 863, 1965.
rat LD50 intraperitoneal 100mg/kg (100mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 15, Pg. 863, 1965.