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Substance Name: Isosemicarbazide, 2-((3,4-dihydro-3-o-tolyl-4-oxoquinazolin-2-yl)methyl)-2-thio-, monohydrobromide
RN: 61554-93-6
InChIKey: IBSYYSJAFGBMCT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H17-N5-O-S.Br-H

Molecular Weight

  • 420.333
 
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Names and Synonyms

  • Isosemicarbazide, 2-((3,4-dihydro-3-o-tolyl-4-oxoquinazolin-2-yl)methyl)-2-thio-, monohydrobromide

Registry Numbers

CAS Registry Number

  • 61554-93-6

System Generated Number

  • 0061554936

Molecular Formulas

Molecular Formula

  • C17-H17-N5-O-S.Br-H

Molecular Formula Fragments

  • Br-H
  • C17-H17-N5-O-S
  • COMPONENT

Structure Descriptors

InChI

1S/C17H17N5OS.BrH/c1-11-6-2-5-9-14(11)22-15(10-24-17(18)21-19)20-13-8-4-3-7-12(13)16(22)23;/h2-9H,10,19H2,1H3,(H2,18,21);1H

InChIKey

IBSYYSJAFGBMCT-UHFFFAOYSA-N

Smiles

n1(c(nc2ccccc2c1=O)CSC(N[NH3+])=N)c1c(cccc1)C.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 300mg/kg (300mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 379, 1977.