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Substance Name: Isonipecotamide, 1-(3-(5H-dibenz(b,f)azepin-5-yl)propyl)-4-phenyl-, monohydrochloride
RN: 28027-90-9
InChIKey: VXGVELWKGQZTJC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H31-N3-O.Cl-H

Molecular Weight

  • 474.045
 
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Names and Synonyms

Synonym

  • 1-(3-(5H-Dibenz(b,f)azepin-5-yl)propyl)-4-phenylisonipecotamide hydrochloride

Systematic Name

  • Isonipecotamide, 1-(3-(5H-dibenz(b,f)azepin-5-yl)propyl)-4-phenyl-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 28027-90-9

System Generated Number

  • 0028027909

Molecular Formulas

Molecular Formula

  • C29-H31-N3-O.Cl-H

Molecular Formula Fragments

  • C29-H31-N3-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C29H31N3O.ClH/c30-28(33)29(25-11-2-1-3-12-25)17-21-31(22-18-29)19-8-20-32-26-13-6-4-9-23(26)15-16-24-10-5-7-14-27(24)32;/h1-7,9-16H,8,17-22H2,(H2,30,33);1H

InChIKey

VXGVELWKGQZTJC-UHFFFAOYSA-N

Smiles

N1(CCC(CC1)(C(=O)N)c1ccccc1)CCCN1c2c(C=Cc3c1cccc3)cccc2.Cl

Toxicity

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