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Substance Name: 1H-(1,3)Oxazino(3,4-a)(1,4)benzodiazepine, 3,4,4a,5-tetrahydro-9-chloro-7-(2-fluorophenyl)-
RN: 112634-57-8
InChIKey: LCJOFMUFWIVOIN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H16-Cl-F-N2-O

Molecular Weight

  • 330.7884
 
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Names and Synonyms

Synonyms

  • 9-Chloro-7-(2-fluorophenyl)-3,4,4a,5-tetrahydro-1H-(1,3)oxazino(3,4-a)(1,4)benzodiazepine
  • BRN 5119904

Systematic Name

  • 1H-(1,3)Oxazino(3,4-a)(1,4)benzodiazepine, 3,4,4a,5-tetrahydro-9-chloro-7-(2-fluorophenyl)-

Registry Numbers

CAS Registry Number

  • 112634-57-8

System Generated Number

  • 0112634578

Structure Descriptors

InChI

1S/C18H16ClFN2O/c19-12-5-6-17-15(9-12)18(14-3-1-2-4-16(14)20)21-10-13-7-8-23-11-22(13)17/h1-6,9,13H,7-8,10-11H2

InChIKey

LCJOFMUFWIVOIN-UHFFFAOYSA-N

Smiles

c1ccc(c(c1)C2=NCC3CCOCN3c4c2cc(cc4)Cl)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Journal of Heterocyclic Chemistry. Vol. 24, Pg. 683, 1987.