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Substance Name: Cyclohexanone, 2-butyl-, O-(3-(4-(phenylmethyl)-1-piperazinyl)propyl)oxime, (E)-2-butenedioate(1:2)
RN: 78674-90-5
InChIKey: WWMYIWFYYXREHF-GYHUWASCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H39-N3-O.2C4-H4-O4

Molecular Weight

  • 617.7353
 
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Names and Synonyms

Synonym

  • 2-n-Butyl-1-(3'-(4''-benzylpiperazinyl)propoxyimino)cyclohexane dihydrogen fumarate

Systematic Name

  • Cyclohexanone, 2-butyl-, O-(3-(4-(phenylmethyl)-1-piperazinyl)propyl)oxime, (E)-2-butenedioate(1:2)

Registry Numbers

CAS Registry Number

  • 78674-90-5

System Generated Number

  • 0078674905

Molecular Formulas

Molecular Formula

  • C24-H39-N3-O.2C4-H4-O4

Molecular Formula Fragments

  • C24-H39-N3-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C24H39N3O.2C4H4O4/c1-2-3-12-23-13-7-8-14-24(23)25-28-20-9-15-26-16-18-27(19-17-26)21-22-10-5-4-6-11-22;2*5-3(6)1-2-4(7)8/h4-6,10-11,23H,2-3,7-9,12-21H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b25-24+;2*2-1+

InChIKey

WWMYIWFYYXREHF-GYHUWASCSA-N

Smiles

CCCCC1/C(=N/OCCCN2CCN(CC2)Cc3ccccc3)/CCCC1.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 240mg/kg (240mg/kg)   United States Patent Document. Vol. #4395413,
mouse LD50 oral 1300mg/kg (1300mg/kg)   United States Patent Document. Vol. #4395413,