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Substance Name: 2H-1,4-Benzodiazepin-2-one, 1,5-dihydro-5-methoxy-7-nitro-5-phenyl-
RN: 61983-98-0
InChIKey: QDBFYSCQBAAYIY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H13-N3-O4

Molecular Weight

  • 311.2957
 
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Names and Synonyms

Synonyms

  • 1,5-Dihydro-5-methoxy-7-nitro-5-phenyl-2H-1,4-benzodiazepin-2-one
  • 5-25-02-00231 (Beilstein Handbook Reference)
  • BRN 0761917

Systematic Name

  • 2H-1,4-Benzodiazepin-2-one, 1,5-dihydro-5-methoxy-7-nitro-5-phenyl-

Registry Numbers

CAS Registry Number

  • 61983-98-0

System Generated Number

  • 0061983980

Structure Descriptors

InChI

1S/C16H13N3O4/c1-23-16(11-5-3-2-4-6-11)13-9-12(19(21)22)7-8-14(13)18-15(20)10-17-16/h2-10H,1H3,(H,18,20)

InChIKey

QDBFYSCQBAAYIY-UHFFFAOYSA-N

Smiles

COC1(c2cc(ccc2NC(=O)C=N1)[N+](=O)[O-])c3ccccc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 776, 1977.