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Substance Name: Benzoic acid, 4-(7-chloro-2-(2-(4-hydroxyphenyl)ethenyl)-4-oxo-3(4H)-quinazolinyl)-, ethyl ester
RN: 72889-47-5
InChIKey: YXSYACJKISQQPA-LHHJGKSTSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H19-Cl-N2-O4

Molecular Weight

  • 446.8881
 
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Names and Synonyms

Synonyms

  • 5-25-02-00310 (Beilstein Handbook Reference)
  • BRN 0720991

Systematic Name

  • Benzoic acid, 4-(7-chloro-2-(2-(4-hydroxyphenyl)ethenyl)-4-oxo-3(4H)-quinazolinyl)-, ethyl ester

Registry Numbers

CAS Registry Number

  • 72889-47-5

System Generated Number

  • 0072889475

Structure Descriptors

InChI

1S/C25H19ClN2O4/c1-2-32-25(31)17-6-9-19(10-7-17)28-23(14-5-16-3-11-20(29)12-4-16)27-22-15-18(26)8-13-21(22)24(28)30/h3-15,29H,2H2,1H3/b14-5+

InChIKey

YXSYACJKISQQPA-LHHJGKSTSA-N

Smiles

CCOC(=O)c1ccc(cc1)n2c(nc3cc(ccc3c2=O)Cl)/C=C/c4ccc(cc4)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported > 1gm/kg (1000mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 18, Pg. 275, 1979.