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Substance Name: 1-Benzoxepin-5-ol, 2,3,4,5-tetrahydro-8-chloro-5-(3-(dimethylamino)propyl)-, hydrochloride
RN: 37479-96-2
InChIKey: TVXJULSIMXKQDM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H22-Cl-N-O2.Cl-H

Molecular Weight

  • 320.258
 
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Names and Synonyms

Synonyms

  • 2,3,4,5-Tetrahydro-8-chloro-5-(3-(dimethylamino)propyl)-1-benzoxepin-5-ol hydrochloride
  • 5-(3-Dimethylaminopropyl)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol hydrochloride

Systematic Name

  • 1-Benzoxepin-5-ol, 2,3,4,5-tetrahydro-8-chloro-5-(3-(dimethylamino)propyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 37479-96-2

System Generated Number

  • 0037479962

Molecular Formulas

Molecular Formula

  • C15-H22-Cl-N-O2.Cl-H

Molecular Formula Fragments

  • C15-H22-Cl-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C15H22ClNO2.ClH/c1-17(2)9-3-7-15(18)8-4-10-19-14-11-12(16)5-6-13(14)15;/h5-6,11,18H,3-4,7-10H2,1-2H3;1H

InChIKey

TVXJULSIMXKQDM-UHFFFAOYSA-N

Smiles

c12[C@@](CCC[NH+](C)C)(CCCOc1cc(Cl)cc2)O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 87500ug/kg (87.5mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 37, Pg. 868, 1972.