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Substance Name: 1H-1-Benzazepine, 2,3,4,5-tetrahydro-8-fluoro-5-(4-fluorophenyl)-1-(1-pyrrolidinylacetyl)-, ethanedioate (1:1)
RN: 77795-96-1
InChIKey: IFQPDXFRMOFCFD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H24-F2-N2-O.C2-H2-O4

Molecular Weight

  • 460.474
 
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Names and Synonyms

Synonym

  • VUFB-14126

Systematic Name

  • 1H-1-Benzazepine, 2,3,4,5-tetrahydro-8-fluoro-5-(4-fluorophenyl)-1-(1-pyrrolidinylacetyl)-, ethanedioate (1:1)

Registry Numbers

CAS Registry Number

  • 77795-96-1

System Generated Number

  • 0077795961

Molecular Formulas

Molecular Formula

  • C22-H24-F2-N2-O.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C22-H24-F2-N2-O
  • COMPONENT

Structure Descriptors

InChI

1S/C22H24F2N2O.C2H2O4/c23-17-7-5-16(6-8-17)19-4-3-13-26(21-14-18(24)9-10-20(19)21)22(27)15-25-11-1-2-12-25;3-1(4)2(5)6/h5-10,14,19H,1-4,11-13,15H2;(H,3,4)(H,5,6)

InChIKey

IFQPDXFRMOFCFD-UHFFFAOYSA-N

Smiles

c12c(N(C(C[NH+]3CCCC3)=O)CCC[C@@H]1c1ccc(F)cc1)cc(F)cc2.C(C(=O)[O-])(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 400mg/kg (400mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: EXCITEMENT
Collection of Czechoslovak Chemical Communications. Vol. 46, Pg. 148, 1981.