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Substance Name: Benzoic acid, 4-(6-bromo-2-(((carboxymethyl)thio)methyl)-4-oxo-3(4H)-quinazolinyl)-2-hydroxy-,1-methyl ester
RN: 155104-12-4
InChIKey: LLRLJJUFNIIJQS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H15-Br-N2-O6-S

Molecular Weight

  • 479.3055
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 155104-12-4

System Generated Number

  • 0155104124

Structure Descriptors

InChI

1S/C19H15BrN2O6S/c1-28-19(27)12-4-3-11(7-15(12)23)22-16(8-29-9-17(24)25)21-14-5-2-10(20)6-13(14)18(22)26/h2-7,23H,8-9H2,1H3,(H,24,25)

InChIKey

LLRLJJUFNIIJQS-UHFFFAOYSA-N

Smiles

COC(=O)c1ccc(cc1O)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.