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Substance Name: 4-Piperidinol, 4-benzyl-1-(3-(5H-dibenz(b,f)azepin-5-yl)propyl)-, hydrochloride, hydrate
RN: 28027-93-2
InChIKey: PKAMDYALTHHOLL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H32-N2-O.Cl-H.H2-O

Molecular Weight

  • 461.046
 
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Names and Synonyms

Synonym

  • 4-Benzyl-1-(3-(5H-dibenz(b,f)azepin-5-yl)propyl)-4-piperidinol hydrochloride hydrate

Systematic Name

  • 4-Piperidinol, 4-benzyl-1-(3-(5H-dibenz(b,f)azepin-5-yl)propyl)-, hydrochloride, hydrate

Registry Numbers

CAS Registry Number

  • 28027-93-2

System Generated Number

  • 0028027932

Molecular Formulas

Molecular Formula

  • C29-H32-N2-O.Cl-H.H2-O

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C29H32N2O.ClH/c32-29(23-24-9-2-1-3-10-24)17-21-30(22-18-29)19-8-20-31-27-13-6-4-11-25(27)15-16-26-12-5-7-14-28(26)31;/h1-7,9-16,32H,8,17-23H2;1H

InChIKey

PKAMDYALTHHOLL-UHFFFAOYSA-N

Smiles

N1(CCC(CC1)(O)Cc1ccccc1)CCCN1c2c(C=Cc3c1cccc3)cccc2.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 intraperitoneal 120mg/kg (120mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 644, 1970.