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Substance Name: Pseudourea, 2-((3,4-dihydro-3-(o-fluorophenyl)-4-oxoquinazolin-2-yl)methyl)-2-thio-, monohydrobromide
RN: 61554-98-1
InChIKey: LKPQZPDTJKMAOV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H13-F-N4-O-S.Br-H

Molecular Weight

  • 409.2816
 
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Names and Synonyms

Synonym

  • S-(3-(2-Fluorophenyl)-4(3H)-oxoquinazolin-2-ylmethyl)thiouronium bromide

Systematic Name

  • Pseudourea, 2-((3,4-dihydro-3-(o-fluorophenyl)-4-oxoquinazolin-2-yl)methyl)-2-thio-, monohydrobromide

Registry Numbers

CAS Registry Number

  • 61554-98-1

System Generated Number

  • 0061554981

Molecular Formulas

Molecular Formula

  • C16-H13-F-N4-O-S.Br-H

Molecular Formula Fragments

  • Br-H
  • C16-H13-F-N4-O-S
  • COMPONENT

Structure Descriptors

InChI

1S/C16H13FN4OS.BrH/c17-11-6-2-4-8-13(11)21-14(9-23-16(18)19)20-12-7-3-1-5-10(12)15(21)22;/h1-8H,9H2,(H3,18,19);1H

InChIKey

LKPQZPDTJKMAOV-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)c(=O)n(c(n2)CSC(=N)N)c3ccccc3F.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 500mg/kg (500mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 379, 1977.