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Substance Name: Isonipecotamide, 1-(3-(5H-dibenz(b,f)azepin-5-yl)propyl)-4-piperidino-, hydrochloride, hydrate (2:4:1)
RN: 28027-99-8
InChIKey: QKCHGFSKOPWXKS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H36-N4-O.2Cl-H.1/2H2-O

Molecular Weight

  • 517.541
 
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Names and Synonyms

  • Isonipecotamide, 1-(3-(5H-dibenz(b,f)azepin-5-yl)propyl)-4-piperidino-, hydrochloride, hydrate (2:4:1)

Registry Numbers

CAS Registry Number

  • 28027-99-8

System Generated Number

  • 0028027998

Molecular Formulas

Molecular Formula

  • C28-H36-N4-O.2Cl-H.1/2H2-O

Molecular Formula Fragments

  • C28-H36-N4-O
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C28H36N4O.2ClH/c29-27(33)28(31-18-6-1-7-19-31)15-21-30(22-16-28)17-8-20-32-25-11-4-2-9-23(25)13-14-24-10-3-5-12-26(24)32;;/h2-5,9-14H,1,6-8,15-22H2,(H2,29,33);2*1H

InChIKey

QKCHGFSKOPWXKS-UHFFFAOYSA-N

Smiles

C1([NH+]2CCCCC2)(CC[NH+](CCCN2c3c(C=Cc4c2cccc4)cccc3)CC1)C(N)=O.[ClH-].[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 intraperitoneal 60mg/kg (60mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 644, 1970.