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Substance Name: Acetamide, N-(2-(4-(hexahydro-1H-azepin-1-yl)-3-nitrophenyl)-4-oxo-3(4H)-quinazolinyl)-2-((4-(2-phenyl-1,8-naphthyridin-3-yl)carbonyl)phenoxy)-
RN: 136603-31-1
InChIKey: QHJBLUJWYVCSPY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C43-H35-N7-O6

Molecular Weight

  • 745.7925
 
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Names and Synonyms

Synonym

  • BRN 4900506

Systematic Name

  • Acetamide, N-(2-(4-(hexahydro-1H-azepin-1-yl)-3-nitrophenyl)-4-oxo-3(4H)-quinazolinyl)-2-((4-(2-phenyl-1,8-naphthyridin-3-yl)carbonyl)phenoxy)-

Registry Numbers

CAS Registry Number

  • 136603-31-1

System Generated Number

  • 0136603311

Structure Descriptors

InChI

1S/C43H35N7O6/c51-38(27-56-32-19-16-29(17-20-32)40(52)34-25-30-13-10-22-44-41(30)46-39(34)28-11-4-3-5-12-28)47-49-42(45-35-15-7-6-14-33(35)43(49)53)31-18-21-36(37(26-31)50(54)55)48-23-8-1-2-9-24-48/h3-7,10-22,25-26H,1-2,8-9,23-24,27H2,(H,47,51)

InChIKey

QHJBLUJWYVCSPY-UHFFFAOYSA-N

Smiles

c1ccc(cc1)c2c(cc3cccnc3n2)C(=O)c4ccc(cc4)OCC(=O)Nn5c(=O)c6ccccc6nc5c7ccc(c(c7)[N+](=O)[O-])N8CCCCCC8

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Journal of the Indian Chemical Society. Vol. 68, Pg. 85, 1991.