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Substance Name: Isonipecotamide, 1-(3-(5H-dibenz(b,f)azepin-5-yl)propyl)-4-(dimethylamino)-, hydrochloride, hydrate (2:4:1)
RN: 28028-00-4
InChIKey: WAGLEECRSQWYCZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H32-N4-O.2Cl-H.1/2H2-O

Molecular Weight

  • 477.477
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 28028-00-4

System Generated Number

  • 0028028004

Molecular Formulas

Molecular Formula

  • C25-H32-N4-O.2Cl-H.1/2H2-O

Molecular Formula Fragments

  • C25-H32-N4-O
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C25H32N4O.2ClH/c1-27(2)25(24(26)30)14-18-28(19-15-25)16-7-17-29-22-10-5-3-8-20(22)12-13-21-9-4-6-11-23(21)29;;/h3-6,8-13H,7,14-19H2,1-2H3,(H2,26,30);2*1H

InChIKey

WAGLEECRSQWYCZ-UHFFFAOYSA-N

Smiles

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

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.