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Substance Name: 2H-1,4-Benzodiazepin-2-one, 1,5-dihydro-5-methoxy-1-methyl-7-nitro-5-phenyl-
RN: 62159-90-4
InChIKey: NDPFUBYMLCCUPA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H15-N3-O4

Molecular Weight

  • 325.3225
 
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Names and Synonyms

Synonyms

  • 1,5-Dihydro-5-methoxy-1-methyl-7-nitro-5-phenyl-2H-1,4-benzodiazepin-2-one
  • 5-25-02-00231 (Beilstein Handbook Reference)
  • BRN 0764052

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 62159-90-4

System Generated Number

  • 0062159904

Structure Descriptors

InChI

1S/C17H15N3O4/c1-19-15-9-8-13(20(22)23)10-14(15)17(24-2,18-11-16(19)21)12-6-4-3-5-7-12/h3-11H,1-2H3

InChIKey

NDPFUBYMLCCUPA-UHFFFAOYSA-N

Smiles

CN1c2ccc(cc2C(N=CC1=O)(c3ccccc3)OC)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 750mg/kg (750mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 776, 1977.