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Substance Name: Benzoic acid, 4-(6-bromo-2-(((carboxymethyl)thio)methyl)-4-oxo-3(4H)-quinazolinyl)-, 1-ethyl ester
RN: 155104-11-3
InChIKey: PTWSRMIEXUYYDA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H17-Br-N2-O5-S

Molecular Weight

  • 477.3333
 
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Names and Synonyms

Synonym

  • 6-Bromo-2-(carboxymethylthiomethyl)-3-(4'-(ethoxycarbonyl)phenyl)-4(3H)-quinazolinone

Systematic Name

  • Benzoic acid, 4-(6-bromo-2-(((carboxymethyl)thio)methyl)-4-oxo-3(4H)-quinazolinyl)-, 1-ethyl ester

Registry Numbers

CAS Registry Number

  • 155104-11-3

System Generated Number

  • 0155104113

Structure Descriptors

InChI

1S/C20H17BrN2O5S/c1-2-28-20(27)12-3-6-14(7-4-12)23-17(10-29-11-18(24)25)22-16-8-5-13(21)9-15(16)19(23)26/h3-9H,2,10-11H2,1H3,(H,24,25)

InChIKey

PTWSRMIEXUYYDA-UHFFFAOYSA-N

Smiles

CCOC(=O)c1ccc(cc1)n2c(nc3ccc(cc3c2=O)Br)CSCC(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 300mg/kg (300mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 33, Pg. 260, 1994.