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Substance Name: Benzoic acid, 4-(6-bromo-2-(((2-carboxyethyl)thio)methyl)-4-oxo-3(4H)-quinazolinyl)-, 1-ethyl ester
RN: 155104-13-5
InChIKey: BXRVEZKJOYRGIC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H19-Br-N2-O5-S

Molecular Weight

  • 491.3601
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 155104-13-5

System Generated Number

  • 0155104135

Structure Descriptors

InChI

1S/C21H19BrN2O5S/c1-2-29-21(28)13-3-6-15(7-4-13)24-18(12-30-10-9-19(25)26)23-17-8-5-14(22)11-16(17)20(24)27/h3-8,11H,2,9-10,12H2,1H3,(H,25,26)

InChIKey

BXRVEZKJOYRGIC-UHFFFAOYSA-N

Smiles

CCOC(=O)c1ccc(cc1)n2c(nc3ccc(cc3c2=O)Br)CSCCC(=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.