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Substance Name: Isonipecotamide, 1-(3-(9,9-dimethyl-10-acridanyl)propyl)-4-piperidino-, hydrochloride, hydrate (4:8:1)
RN: 28058-63-1
InChIKey: ZHSFBTTUQMEWAM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H40-N2-O.2Cl-H.1/4H2-O

Molecular Weight

  • 533.584
 
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Names and Synonyms

Synonym

  • 9,9-Dimethyl-10-(3-(4-carbamoyl-4-piperidinopiperidino)propyl)acridan 2HCl hydrate

Systematic Name

  • Isonipecotamide, 1-(3-(9,9-dimethyl-10-acridanyl)propyl)-4-piperidino-, hydrochloride, hydrate (4:8:1)

Registry Numbers

CAS Registry Number

  • 28058-63-1

System Generated Number

  • 0028058631

Molecular Formulas

Molecular Formula

  • C29-H40-N2-O.2Cl-H.1/4H2-O

Molecular Formula Fragments

  • C29-H40-N2-O
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C29H40N4O.2ClH/c1-28(2)23-11-4-6-13-25(23)33(26-14-7-5-12-24(26)28)20-10-17-31-21-15-29(16-22-31,27(30)34)32-18-8-3-9-19-32;;/h4-7,11-14H,3,8-10,15-22H2,1-2H3,(H2,30,34);2*1H

InChIKey

ZHSFBTTUQMEWAM-UHFFFAOYSA-N

Smiles

C1([NH+]2CCCCC2)(CC[NH+](CCCN2c3c(C(C)(C)c4c2cccc4)cccc3)CC1)C(N)=O.[ClH-].[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 intraperitoneal 320mg/kg (320mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 644, 1970.