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Substance Name: Benzoic acid, 4-(6-bromo-2-(((1-carboxyethyl)thio)methyl)-4-oxo-3(4H)-quinazolinyl)-2-hydroxy-, 1-methyl ester
RN: 155104-16-8
InChIKey: BSEYJOSNSXHVGH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H17-Br-N2-O6-S

Molecular Weight

  • 493.3323
 
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Names and Synonyms

Synonym

  • 6-Bromo-2-(1-carboxyethylthiomethyl)-3-(3'-hydroxy-4'-(methoxy)phenyl)-4(3H)-quinazolinone

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 155104-16-8

System Generated Number

  • 0155104168

Structure Descriptors

InChI

1S/C20H17BrN2O6S/c1-10(19(26)27)30-9-17-22-15-6-3-11(21)7-14(15)18(25)23(17)12-4-5-13(16(24)8-12)20(28)29-2/h3-8,10,24H,9H2,1-2H3,(H,26,27)

InChIKey

BSEYJOSNSXHVGH-UHFFFAOYSA-N

Smiles

CC(C(=O)O)SCc1nc2ccc(cc2c(=O)n1c3ccc(c(c3)O)C(=O)OC)Br

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.