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Substance Name: 1-Benzoxepin-5-ol, 2,3,4,5-tetrahydro-8-chloro-5-phenyl-4-(1-piperidinylmethyl)-, hydrochloride, cis-(+-)-
RN: 37480-17-4
InChIKey: YKNKWWBOSAFDPV-HDNPKDEKSA-N

Molecular Formula

  • C22-H26-Cl-N-O2.Cl-H

Molecular Weight

  • 408.366
 
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Names and Synonyms

Synonyms

  • (cis)-(+-)-2,3,4,5-Tetrahydro-8-chloro-5-phenyl-4-(1-piperidinylmethyl)-1-benzoxepin-5-ol HCl
  • (cis)-(+-)-4-Piperidinomethyl-5-phenyl-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol HCl

Systematic Name

  • 1-Benzoxepin-5-ol, 2,3,4,5-tetrahydro-8-chloro-5-phenyl-4-(1-piperidinylmethyl)-, hydrochloride, cis-(+-)-

Registry Numbers

CAS Registry Number

  • 37480-17-4

System Generated Number

  • 0037480174

Molecular Formulas

Molecular Formula

  • C22-H26-Cl-N-O2.Cl-H

Molecular Formula Fragments

  • C22-H26-Cl-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H26ClNO2.ClH/c23-19-9-10-20-21(15-19)26-14-11-18(16-24-12-5-2-6-13-24)22(20,25)17-7-3-1-4-8-17;/h1,3-4,7-10,15,18,25H,2,5-6,11-14,16H2;1H/t18?,22-;/m1./s1

InChIKey

YKNKWWBOSAFDPV-HDNPKDEKSA-N

Smiles

c12[C@@]([C@@H](C[NH+]3CCCCC3)CCOc1cc(Cl)cc2)(c1ccccc1)O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2gm/kg (2000mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 37, Pg. 868, 1972.