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Substance Name: 3H-1,2-Diazepin-3-one, 2,4,5,6-tetrahydro-7-phenyl-2-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, ethanedioate (1:1)
RN: 58191-87-0
InChIKey: IXGPFYHYQIQGDG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H27-F3-N4-O.C2-H2-O4

Molecular Weight

  • 534.5321
 
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Names and Synonyms

Synonym

  • SL-B 868

Systematic Name

  • 3H-1,2-Diazepin-3-one, 2,4,5,6-tetrahydro-7-phenyl-2-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, ethanedioate (1:1)

Registry Numbers

CAS Registry Number

  • 58191-87-0

System Generated Number

  • 0058191870

Molecular Formulas

Molecular Formula

  • C24-H27-F3-N4-O.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C24-H27-F3-N4-O
  • COMPONENT

Structure Descriptors

InChI

1S/C24H27F3N4O.C2H2O4/c25-24(26,27)20-8-4-9-21(18-20)30-15-12-29(13-16-30)14-17-31-23(32)11-5-10-22(28-31)19-6-2-1-3-7-19;3-1(4)2(5)6/h1-4,6-9,18H,5,10-17H2;(H,3,4)(H,5,6)

InChIKey

IXGPFYHYQIQGDG-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C2=NN(C(=O)CCC2)CCN3CCN(CC3)c4cccc(c4)C(F)(F)F.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 750mg/kg (750mg/kg)   French Demande Patent Document. Vol. #2257274,