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Substance Name: Benzonitrile, 4-amino-3-(2-(2-(diethylamino)ethyl)-2,3-dihydro-3-oxo-1H-isoindol-1-yl)-, monohydrochloride
RN: 116870-91-8
InChIKey: DYLMHVNHAVVPOD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H24-N4-O.Cl-H

Molecular Weight

  • 384.9085
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 116870-91-8

System Generated Number

  • 0116870918

Molecular Formulas

Molecular Formula

  • C21-H24-N4-O.Cl-H

Molecular Formula Fragments

  • C21-H24-N4-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H24N4O.ClH/c1-3-24(4-2)11-12-25-20(16-7-5-6-8-17(16)21(25)26)18-13-15(14-22)9-10-19(18)23;/h5-10,13,20H,3-4,11-12,23H2,1-2H3;1H

InChIKey

DYLMHVNHAVVPOD-UHFFFAOYSA-N

Smiles

CCN(CC)CCN1C(c2ccccc2C1=O)c3cc(ccc3N)C#N.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,