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Substance Name: 5H-Dibenz(b,f)azepine, 5-(3-(4-methoxy-4-phenylpiperidino)propyl)-, hydrochloride, hydrate (2:2:1)
RN: 26438-73-3
InChIKey: LNEOCDYCSRRSPW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H32-N2-O.Cl-H.1/2H2-O

Molecular Weight

  • 461.046
 
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Names and Synonyms

  • 5H-Dibenz(b,f)azepine, 5-(3-(4-methoxy-4-phenylpiperidino)propyl)-, hydrochloride, hydrate (2:2:1)

Registry Numbers

CAS Registry Number

  • 26438-73-3

System Generated Number

  • 0026438733

Molecular Formulas

Molecular Formula

  • C29-H32-N2-O.Cl-H.1/2H2-O

Molecular Formula Fragments

  • C29-H32-N2-O
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C29H32N2O.ClH/c1-32-29(26-12-3-2-4-13-26)18-22-30(23-19-29)20-9-21-31-27-14-7-5-10-24(27)16-17-25-11-6-8-15-28(25)31;/h2-8,10-17H,9,18-23H2,1H3;1H

InChIKey

LNEOCDYCSRRSPW-UHFFFAOYSA-N

Smiles

N1(c2c(C=Cc3c1cccc3)cccc2)CCCN1CCC(CC1)(c1ccccc1)OC.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 intraperitoneal 240mg/kg (240mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) Journal of Medicinal Chemistry. Vol. 13, Pg. 644, 1970.