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Substance Name: 2H-1,4-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-7-chloro-5-methoxy-4-nitro-5-phenyl-
RN: 62159-89-1
InChIKey: SPALNSSIJOHLTP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H14-Cl-N3-O4

Molecular Weight

  • 347.7566
 
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Names and Synonyms

Synonyms

  • 1,3,4,5-Tetrahydro-7-chloro-5-methoxy-4-nitro-5-phenyl-2H-1,4-benzodiazepin-2-one
  • 5-25-02-00182 (Beilstein Handbook Reference)
  • 7-Chloro-5-methoxy-4-nitro-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
  • BRN 0766941

Systematic Name

  • 2H-1,4-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-7-chloro-5-methoxy-4-nitro-5-phenyl-

Registry Numbers

CAS Registry Number

  • 62159-89-1

System Generated Number

  • 0062159891

Structure Descriptors

InChI

1S/C16H14ClN3O4/c1-24-16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)18-15(21)10-19(16)20(22)23/h2-9H,10H2,1H3,(H,18,21)

InChIKey

SPALNSSIJOHLTP-UHFFFAOYSA-N

Smiles

COC1(c2cc(ccc2NC(=O)CN1[N+](=O)[O-])Cl)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.