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Substance Name: 1-Piperazinebutanamide, N-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)-4-(4-fluorophenyl)-,(Z)-2-butenedioate (1:1)
RN: 103379-33-5
InChIKey: XVVYHOVUKZWTRC-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H32-F-N3-O.C4-H4-O4

Molecular Weight

  • 573.6614
 
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Names and Synonyms

Synonym

  • 5-(4-(4-(4-Fluorophenyl)-1-piperazinyl)butyrylamino)-5H-dibenzo(a,d)cycloheptene maleate

Systematic Name

  • 1-Piperazinebutanamide, N-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)-4-(4-fluorophenyl)-,(Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 103379-33-5

System Generated Number

  • 0103379335

Molecular Formulas

Molecular Formula

  • C29-H32-F-N3-O.C4-H4-O4

Molecular Formula Fragments

  • C29-H32-F-N3-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C29H32FN3O.C4H4O4/c30-24-13-15-25(16-14-24)33-20-18-32(19-21-33)17-5-10-28(34)31-29-26-8-3-1-6-22(26)11-12-23-7-2-4-9-27(23)29;5-3(6)1-2-4(7)8/h1-4,6-9,13-16,29H,5,10-12,17-21H2,(H,31,34);1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

XVVYHOVUKZWTRC-BTJKTKAUSA-N

Smiles

c1ccc2c(c1)CCc3ccccc3C2NC(=O)CCCN4CCN(CC4)c5ccc(cc5)F.C(=C\C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #4749703,
mouse LD50 oral > 4gm/kg (4000mg/kg)   United States Patent Document. Vol. #4749703,