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Substance Name: 3H-1,4-Benzodiazepine, 7-chloro-2-dimethylamino-5-phenyl-, 4-oxide
RN: 3693-14-9
InChIKey: DQZUAVXXQQOPOW-UHFFFAOYSA-N

Molecular Formula

  • C17-H16-Cl-N3-O

Molecular Weight

  • 313.7864
 
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Names and Synonyms

Synonyms

  • 5-25-11-00431 (Beilstein Handbook Reference)
  • 7-Chloro-2-dimethylamino-5-phenyl-3H-1,4-benzodiazepine 4-oxide
  • BRN 0757292

Systematic Name

  • 3H-1,4-Benzodiazepine, 7-chloro-2-dimethylamino-5-phenyl-, 4-oxide

Registry Numbers

CAS Registry Number

  • 3693-14-9

System Generated Number

  • 0003693149

Structure Descriptors

InChI

1S/C17H16ClN3O/c1-20(2)16-11-21(22)17(12-6-4-3-5-7-12)14-10-13(18)8-9-15(14)19-16/h3-10H,11H2,1-2H3

InChIKey

DQZUAVXXQQOPOW-UHFFFAOYSA-N

Smiles

CN(C)C1=Nc2ccc(cc2C(=[N+](C1)[O-])c3ccccc3)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 400mg/kg (400mg/kg)   Journal of Medicinal Chemistry. Vol. 7, Pg. 235, 1964.