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Substance Name: 7-Quinazolinecarboxamide, 3,4-dihydro-N-butyl-2-methyl-3-(2-methylphenyl)-4-oxo-, hydrochloride, hydrate (2:2:1)
RN: 74101-62-5
InChIKey: CVOPFAFMQJVAIL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H23-N3-O2.Cl-H.1/2H2-O

Molecular Weight

  • 385.8926
 
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Names and Synonyms

Synonym

  • 2-Methyl-3-o-tolyl-7-(N-butylcarboxamide)-4(3H)-quinazolone hydrochloride hemihydrate

Systematic Name

  • 7-Quinazolinecarboxamide, 3,4-dihydro-N-butyl-2-methyl-3-(2-methylphenyl)-4-oxo-, hydrochloride, hydrate (2:2:1)

Registry Numbers

CAS Registry Number

  • 74101-62-5

System Generated Number

  • 0074101625

Molecular Formulas

Molecular Formula

  • C21-H23-N3-O2.Cl-H.1/2H2-O

Molecular Formula Fragments

  • C21-H23-N3-O2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C21H23N3O2.ClH/c1-4-5-12-22-20(25)16-10-11-17-18(13-16)23-15(3)24(21(17)26)19-9-7-6-8-14(19)2;/h6-11,13H,4-5,12H2,1-3H3,(H,22,25);1H

InChIKey

CVOPFAFMQJVAIL-UHFFFAOYSA-N

Smiles

CCCCNC(=O)c1ccc2c(c1)nc(n(c2=O)c3ccccc3C)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 18, Pg. 443, 1979.