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Substance Name: Isonipecotamide, 1-(3-(9,9-dimethyl-10-acridanyl)propyl)-4-(dimethylamino)-, hydrochloride, hydrate (4:8:1)
RN: 28028-10-6
InChIKey: DSZQLOMFFZFCEO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H36-N4-O.2Cl-H.1/4H2-O

Molecular Weight

  • 493.519
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 28028-10-6

System Generated Number

  • 0028028106

Molecular Formulas

Molecular Formula

  • C26-H36-N4-O.2Cl-H.1/4H2-O

Molecular Formula Fragments

  • C26-H36-N4-O
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C26H36N4O.2ClH/c1-25(2)20-10-5-7-12-22(20)30(23-13-8-6-11-21(23)25)17-9-16-29-18-14-26(15-19-29,24(27)31)28(3)4;;/h5-8,10-13H,9,14-19H2,1-4H3,(H2,27,31);2*1H

InChIKey

DSZQLOMFFZFCEO-UHFFFAOYSA-N

Smiles

c12N(c3c(cccc3)C(c1cccc2)(C)C)CCC[NH+]1CCC(C(N)=O)([NH+](C)C)CC1.[ClH-].[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 intraperitoneal 100mg/kg (100mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 644, 1970.