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Substance Name: Benzonitrile, 4-amino-3-(2-(2-(ethylamino)ethyl)-2,3-dihydro-3-oxo-1H-isoindol-1-yl)-, dihydrochloride
RN: 116870-95-2
InChIKey: DQUBLSSBEVJDIV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H20-N4-O.2Cl-H

Molecular Weight

  • 393.3158
 
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Names and Synonyms

Synonym

  • 3-(2-Amino-5-cyanophenyl)-2-(2-ethylaminoethyl)isoindolin-1-one dihydrochloride

Systematic Name

  • Benzonitrile, 4-amino-3-(2-(2-(ethylamino)ethyl)-2,3-dihydro-3-oxo-1H-isoindol-1-yl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 116870-95-2

System Generated Number

  • 0116870952

Molecular Formulas

Molecular Formula

  • C19-H20-N4-O.2Cl-H

Molecular Formula Fragments

  • C19-H20-N4-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C19H20N4O.2ClH/c1-2-22-9-10-23-18(14-5-3-4-6-15(14)19(23)24)16-11-13(12-20)7-8-17(16)21;;/h3-8,11,18,22H,2,9-10,21H2,1H3;2*1H

InChIKey

DQUBLSSBEVJDIV-UHFFFAOYSA-N

Smiles

CCNCCN1C(c2ccccc2C1=O)c3cc(ccc3N)C#N.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 100mg/kg (100mg/kg)   United States Patent Document. Vol. #4849441,
mouse LD oral > 300mg/kg (300mg/kg)   United States Patent Document. Vol. #4849441,