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Substance Name: Benzonitrile, 2-(2-methyl-4-oxo-3(4H)-quinazolinyl)-, monohydrochloride
RN: 56344-92-4
InChIKey: DIQRBTQWMOYJIQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H11-N3-O.Cl-H

Molecular Weight

  • 297.7438
 
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Names and Synonyms

Synonyms

  • 2-(2-Methyl-4-oxo-3(4H)-quinazolinyl)benzonitrile monohydrochloride
  • 2-Methyl-3-(o-cyanophenyl)-4(3H)-quinazolone hydrochloride

Systematic Name

  • Benzonitrile, 2-(2-methyl-4-oxo-3(4H)-quinazolinyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 56344-92-4

System Generated Number

  • 0056344924

Molecular Formulas

Molecular Formula

  • C16-H11-N3-O.Cl-H

Molecular Formula Fragments

  • C16-H11-N3-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H11N3O.ClH/c1-11-18-14-8-4-3-7-13(14)16(20)19(11)15-9-5-2-6-12(15)10-17;/h2-9H,1H3;1H

InChIKey

DIQRBTQWMOYJIQ-UHFFFAOYSA-N

Smiles

Cc1nc2ccccc2c(=O)n1c3ccccc3C#N.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 570mg/kg (570mg/kg)   United States Patent Document. Vol. #3991193,
mouse LD50 oral 1600mg/kg (1600mg/kg)   United States Patent Document. Vol. #3991193,
rat LD50 intraperitoneal > 300mg/kg (300mg/kg)   United States Patent Document. Vol. #3991193,
rat LD50 oral > 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #3991193,