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Substance Name: 1-Benzoxepin-5-ol, 2,3,4,5-tetrahydro-8-chloro-4-(1-piperidinylmethyl)-, acetate (ester), hydrochloride, trans-(+-)-
RN: 37480-14-1
InChIKey: LZOUACBLHPVDAA-WVEXQUBRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H24-Cl-N-O3.Cl-H

Molecular Weight

  • 374.306
 
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Names and Synonyms

Synonym

  • trans-(+-)-4-Piperidinomethyl-5-acetoxy-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin HCl

Systematic Name

  • 1-Benzoxepin-5-ol, 2,3,4,5-tetrahydro-8-chloro-4-(1-piperidinylmethyl)-, acetate (ester), hydrochloride, trans-(+-)-

Registry Numbers

CAS Registry Number

  • 37480-14-1

System Generated Number

  • 0037480141

Molecular Formulas

Molecular Formula

  • C18-H24-Cl-N-O3.Cl-H

Molecular Formula Fragments

  • C18-H24-Cl-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H24ClNO3.ClH/c1-13(21)23-18-14(12-20-8-3-2-4-9-20)7-10-22-17-11-15(19)5-6-16(17)18;/h5-6,11,14,18H,2-4,7-10,12H2,1H3;1H/t14-,18?;/m0./s1

InChIKey

LZOUACBLHPVDAA-WVEXQUBRSA-N

Smiles

c12[C@@H]([C@H](C[NH+]3CCCCC3)CCOc1cc(Cl)cc2)OC(C)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 60mg/kg (60mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 37, Pg. 868, 1972.