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Substance Name: 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-(2-(diethylamino)ethyl)-5-(2-fluorophenyl)-, N-oxide, dihydrate
RN: 53514-87-7
InChIKey: HJWLNFSXEBRZHQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H23-Cl-F-N3-O2.2H2-O

Molecular Weight

  • 403.8827
 
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Names and Synonyms

  • 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-(2-(diethylamino)ethyl)-5-(2-fluorophenyl)-, N-oxide, dihydrate

Registry Numbers

CAS Registry Number

  • 53514-87-7

System Generated Number

  • 0053514877

Molecular Formulas

Molecular Formula

  • C21-H23-Cl-F-N3-O2.2H2-O

Molecular Formula Fragments

  • C21-H23-Cl-F-N3-O2
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C21H23ClFN3O2/c1-3-26(28,4-2)12-11-25-19-10-9-15(22)13-17(19)21(24-14-20(25)27)16-7-5-6-8-18(16)23/h5-10,13H,3-4,11-12,14H2,1-2H3

InChIKey

HJWLNFSXEBRZHQ-UHFFFAOYSA-N

Smiles

CCN(=O)(CC)CCN1c2ccc(cc2C(=NCC1=O)c3ccccc3F)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 17, Pg. 1228, 1974.