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Substance Name: Cyclohexanone, 2-butylidene-, O-(3-(4-methyl-1-piperazinyl)propyl)oxime, (E)-2-butenedioate(1:2)
RN: 78674-95-0
InChIKey: GDGKXYKOTZLSTD-ZQEZXTHWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H33-N3-O.2C4-H4-O4

Molecular Weight

  • 539.6219
 
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Names and Synonyms

Synonym

  • 2-Butylidene-1-(3'-(4''-methylpiperazinyl)propoxyimino)cyclohexane dihydrogen fumarate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 78674-95-0

System Generated Number

  • 0078674950

Molecular Formulas

Molecular Formula

  • C18-H33-N3-O.2C4-H4-O4

Molecular Formula Fragments

  • C18-H33-N3-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C18H33N3O.2C4H4O4/c1-3-4-8-17-9-5-6-10-18(17)19-22-16-7-11-21-14-12-20(2)13-15-21;2*5-3(6)1-2-4(7)8/h8H,3-7,9-16H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b17-8+,19-18+;2*2-1+

InChIKey

GDGKXYKOTZLSTD-ZQEZXTHWSA-N

Smiles

CCC/C=C\1/C(=N/OCCCN2CCN(CC2)C)/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 330mg/kg (330mg/kg)   United States Patent Document. Vol. #4395413,
mouse LD50 oral 1600mg/kg (1600mg/kg)   United States Patent Document. Vol. #4395413,