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Substance Name: 4(3H)-Quinazolinone, 2-(S-carbamoylthiomethyl)-3-(o-tolyl)-, hydrochloride
RN: 61555-10-0
InChIKey: LBKHXWVKSDAALR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H15-N3-O2-S.Cl-H

Molecular Weight

  • 361.8514
 
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Names and Synonyms

Synonyms

  • 2-(S-Carbamoylthiomethyl)-3-(o-tolyl)-4(3H)-quinazolone hydrochloride
  • 4(3H)-Quinazolinone, 2-(mercaptomethyl)-3-o-tolyl-, monohydrochloride

Systematic Name

  • 4(3H)-Quinazolinone, 2-(S-carbamoylthiomethyl)-3-(o-tolyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 61555-10-0

System Generated Number

  • 0061555100

Molecular Formulas

Molecular Formula

  • C17-H15-N3-O2-S.Cl-H

Molecular Formula Fragments

  • C17-H15-N3-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H15N3O2S.ClH/c1-11-6-2-5-9-14(11)20-15(10-23-17(18)22)19-13-8-4-3-7-12(13)16(20)21;/h2-9H,10H2,1H3,(H2,18,22);1H

InChIKey

LBKHXWVKSDAALR-UHFFFAOYSA-N

Smiles

Cc1ccccc1n2c(nc3ccccc3c2=O)CSC(=O)N.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 400mg/kg (400mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 379, 1977.